6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine

C24H30N8O2 — CID 174069765

IUPAC6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILES[H]/N=C/C(=C\C(=N/[H])c1nc(N2CCOCC2)nc(Nc2ccc(C)cc2)c1OC)C(N)=C/C=N/C
InChIInChI=1S/C24H30N8O2/c1-16-4-6-18(7-5-16)29-23-22(33-3)21(30-24(31-23)32-10-12-34-13-11-32)20(27)14-17(15-25)19(26)8-9-28-2/h4-9,14-15,25,27H,10-13,26H2,1-3H3,(H,29,30,31)/b17-14+,19-8?,25-15+,27-20+,28-9+
InChIKeyNOQSAJKXANOEIP-CZUXVPIUSA-N
MW462.56 g/mol
LogP2.86
Rot. Bonds9

About 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine

6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 174069765) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID174069765
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILES[H]/N=C/C(=C\C(=N/[H])c1nc(N2CCOCC2)nc(Nc2ccc(C)cc2)c1OC)C(N)=C/C=N/C
InChIInChI=1S/C24H30N8O2/c1-16-4-6-18(7-5-16)29-23-22(33-3)21(30-24(31-23)32-10-12-34-13-11-32)20(27)14-17(15-25)19(26)8-9-28-2/h4-9,14-15,25,27H,10-13,26H2,1-3H3,(H,29,30,31)/b17-14+,19-8?,25-15+,27-20+,28-9+
InChIKeyNOQSAJKXANOEIP-CZUXVPIUSA-N
XLogP2.86
TPSA145.59 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 168922781
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
N-(4-methylphenyl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17016838
4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
CID 3286273
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017174
4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171981603
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 20762407

Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 174069765) is 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine is [H]/N=C/C(=C\C(=N/[H])c1nc(N2CCOCC2)nc(Nc2ccc(C)cc2)c1OC)C(N)=C/C=N/C.
What is the InChIKey of 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is NOQSAJKXANOEIP-CZUXVPIUSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-16-4-6-18(7-5-16)29-23-22(33-3)21(30-24(31-23)32-10-12-34-13-11-32)20(27)14-17(15-25)19(26)8-9-28-2/h4-9,14-15,25,27H,10-13,26H2,1-3H3,(H,29,30,31)/b17-14+,19-8?,25-15+,27-20+,28-9+.
What are the key properties of 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 462.56 g/mol, XLogP of 2.86, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 174069765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).