N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine

C19H18N6O — CID 91439875

IUPACN-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(-c3c(C)nc4ncccn34)n2)cc1
InChIInChI=1S/C19H18N6O/c1-13-17(25-11-3-9-21-19(25)23-13)16-8-10-20-18(24-16)22-12-14-4-6-15(26-2)7-5-14/h3-11H,12H2,1-2H3,(H,20,22,24)
InChIKeyIWDISZNCLLVRAM-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.12
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine

N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine (PubChem CID 91439875) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine
PubChem CID91439875
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(-c3c(C)nc4ncccn34)n2)cc1
InChIInChI=1S/C19H18N6O/c1-13-17(25-11-3-9-21-19(25)23-13)16-8-10-20-18(24-16)22-12-14-4-6-15(26-2)7-5-14/h3-11H,12H2,1-2H3,(H,20,22,24)
InChIKeyIWDISZNCLLVRAM-UHFFFAOYSA-N
XLogP3.12
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine
CID 44602689
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892411
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
N-[(4-methoxyphenyl)methyl]-8-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
CID 11214506
N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740240

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine (CID 91439875) is N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine is COc1ccc(CNc2nccc(-c3c(C)nc4ncccn34)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine?
The InChIKey is IWDISZNCLLVRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-17(25-11-3-9-21-19(25)23-13)16-8-10-20-18(24-16)22-12-14-4-6-15(26-2)7-5-14/h3-11H,12H2,1-2H3,(H,20,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine?
N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine has a molecular weight of 346.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 91439875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).