2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine

C19H24Cl2N4O2 — CID 68856599

IUPAC2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCCCOc1nc(NCc2ccc(Cl)c(Cl)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H24Cl2N4O2/c1-2-3-8-27-19-23-17(12-18(24-19)25-6-9-26-10-7-25)22-13-14-4-5-15(20)16(21)11-14/h4-5,11-12H,2-3,6-10,13H2,1H3,(H,22,23,24)
InChIKeySMXHFAYYKQGKKB-UHFFFAOYSA-N
MW411.33 g/mol
LogP4.41
Rot. Bonds8

About 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine

2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 68856599) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID68856599
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC Name2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCCCOc1nc(NCc2ccc(Cl)c(Cl)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H24Cl2N4O2/c1-2-3-8-27-19-23-17(12-18(24-19)25-6-9-26-10-7-25)22-13-14-4-5-15(20)16(21)11-14/h4-5,11-12H,2-3,6-10,13H2,1H3,(H,22,23,24)
InChIKeySMXHFAYYKQGKKB-UHFFFAOYSA-N
XLogP4.41
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(3,4-dichlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 46228125
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58085758
2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine
CID 71454917
[6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine
CID 22288354
6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
CID 122282584
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
ethane;2-(2-morpholin-4-ylethoxy)-N-[(E)-[(2S)-2-pentylcyclohexylidene]amino]-6-piperidin-1-ylpyrimidin-4-amine
CID 143341665
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048759
2-cyclopropyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80955847
6-morpholin-4-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80956097

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 68856599) is 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine is CCCCOc1nc(NCc2ccc(Cl)c(Cl)c2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SMXHFAYYKQGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O2/c1-2-3-8-27-19-23-17(12-18(24-19)25-6-9-26-10-7-25)22-13-14-4-5-15(20)16(21)11-14/h4-5,11-12H,2-3,6-10,13H2,1H3,(H,22,23,24).
What are the key properties of 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine?
2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 411.33 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 68856599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).