6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine

C15H18ClN3O — CID 80971215

IUPAC6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(Nc2cccc(OC)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-6-13-18-14(16)10(2)15(19-13)17-11-7-5-8-12(9-11)20-3/h5,7-9H,4,6H2,1-3H3,(H,17,18,19)
InChIKeySRQANKMGDKRMDA-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.14
Rot. Bonds5

About 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80971215) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80971215
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(Nc2cccc(OC)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-6-13-18-14(16)10(2)15(19-13)17-11-7-5-8-12(9-11)20-3/h5,7-9H,4,6H2,1-3H3,(H,17,18,19)
InChIKeySRQANKMGDKRMDA-UHFFFAOYSA-N
XLogP4.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80973323
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970481
6-hydrazinyl-N-(3-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947184
6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973608
4-N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80976999
N-(2-bromo-6-fluorophenyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 107602353
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
4-chloro-6-methoxy-2-propylquinazoline
CID 106584452

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80971215) is 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(Nc2cccc(OC)c2)n1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is SRQANKMGDKRMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-6-13-18-14(16)10(2)15(19-13)17-11-7-5-8-12(9-11)20-3/h5,7-9H,4,6H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80971215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).