6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine

C16H19ClN4O2 — CID 168922781

IUPAC6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1c(Cl)nc(N2CCOCC2)nc1Nc1ccc(C)cc1
InChIInChI=1S/C16H19ClN4O2/c1-11-3-5-12(6-4-11)18-15-13(22-2)14(17)19-16(20-15)21-7-9-23-10-8-21/h3-6H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyXKQMOWQDDAQLOL-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.03
Rot. Bonds4

About 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine

6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 168922781) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID168922781
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1c(Cl)nc(N2CCOCC2)nc1Nc1ccc(C)cc1
InChIInChI=1S/C16H19ClN4O2/c1-11-3-5-12(6-4-11)18-15-13(22-2)14(17)19-16(20-15)21-7-9-23-10-8-21/h3-6H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyXKQMOWQDDAQLOL-UHFFFAOYSA-N
XLogP3.03
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
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
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
6-[(2Z)-4-amino-3-methanimidoyl-6-methyliminohexa-2,4-dienimidoyl]-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 174069765
4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
CID 3286273
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol
CID 168923052
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 168922781) is 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine is COc1c(Cl)nc(N2CCOCC2)nc1Nc1ccc(C)cc1.
What is the InChIKey of 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is XKQMOWQDDAQLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-3-5-12(6-4-11)18-15-13(22-2)14(17)19-16(20-15)21-7-9-23-10-8-21/h3-6H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 334.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 168922781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).