4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine

C15H18N4 — CID 112854696

IUPAC4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(NC2CC2)ncn1
InChIInChI=1S/C15H18N4/c1-11-4-2-3-5-12(11)9-16-14-8-15(18-10-17-14)19-13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyJNCWASPRCFKVAM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.97
Rot. Bonds5

About 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112854696) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112854696
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(NC2CC2)ncn1
InChIInChI=1S/C15H18N4/c1-11-4-2-3-5-12(11)9-16-14-8-15(18-10-17-14)19-13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyJNCWASPRCFKVAM-UHFFFAOYSA-N
XLogP2.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112932942
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858971
4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858961
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
4-N-cyclopropyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112854687
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112854696) is 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1ccccc1CNc1cc(NC2CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is JNCWASPRCFKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-4-2-3-5-12(11)9-16-14-8-15(18-10-17-14)19-13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112854696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).