2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine

C18H23N7O — CID 146339104

IUPAC2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1ccnc(Nc2ccc(OC)c(-n3cnc(CN(C)C)c3)c2)n1
InChIInChI=1S/C18H23N7O/c1-19-17-7-8-20-18(23-17)22-13-5-6-16(26-4)15(9-13)25-11-14(21-12-25)10-24(2)3/h5-9,11-12H,10H2,1-4H3,(H2,19,20,22,23)
InChIKeyXZJVIXNWXHJYBV-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.52
Rot. Bonds7

About 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine

2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 146339104) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID146339104
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1ccnc(Nc2ccc(OC)c(-n3cnc(CN(C)C)c3)c2)n1
InChIInChI=1S/C18H23N7O/c1-19-17-7-8-20-18(23-17)22-13-5-6-16(26-4)15(9-13)25-11-14(21-12-25)10-24(2)3/h5-9,11-12H,10H2,1-4H3,(H2,19,20,22,23)
InChIKeyXZJVIXNWXHJYBV-UHFFFAOYSA-N
XLogP2.52
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[3-[[2-(azetidin-1-yl)ethylamino]methyl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine;ethane;2-N-[4-methoxy-3-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 145385491
2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 142735039
[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
CID 82475495
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112897265
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894006
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 82861467
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
2-N-(3-chloro-4-methoxyphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882580
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 171509372

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine (CID 146339104) is 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine is CNc1ccnc(Nc2ccc(OC)c(-n3cnc(CN(C)C)c3)c2)n1.
What is the InChIKey of 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is XZJVIXNWXHJYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-19-17-7-8-20-18(23-17)22-13-5-6-16(26-4)15(9-13)25-11-14(21-12-25)10-24(2)3/h5-9,11-12H,10H2,1-4H3,(H2,19,20,22,23).
What are the key properties of 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine?
2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 353.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 146339104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).