4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

C19H26N4 — CID 112859063

IUPAC4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(NC3CCCCCC3)ncn2)c1
InChIInChI=1S/C19H26N4/c1-15-7-6-8-16(11-15)13-20-18-12-19(22-14-21-18)23-17-9-4-2-3-5-10-17/h6-8,11-12,14,17H,2-5,9-10,13H2,1H3,(H2,20,21,22,23)
InChIKeyINSMUZVPJQRTFT-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.53
Rot. Bonds5

About 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112859063) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112859063
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(NC3CCCCCC3)ncn2)c1
InChIInChI=1S/C19H26N4/c1-15-7-6-8-16(11-15)13-20-18-12-19(22-14-21-18)23-17-9-4-2-3-5-10-17/h6-8,11-12,14,17H,2-5,9-10,13H2,1H3,(H2,20,21,22,23)
InChIKeyINSMUZVPJQRTFT-UHFFFAOYSA-N
XLogP4.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112856201
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859062
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexylpyrimidine-4,6-diamine
CID 112856206
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861063
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112859063) is 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1cccc(CNc2cc(NC3CCCCCC3)ncn2)c1.
What is the InChIKey of 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is INSMUZVPJQRTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-7-6-8-16(11-15)13-20-18-12-19(22-14-21-18)23-17-9-4-2-3-5-10-17/h6-8,11-12,14,17H,2-5,9-10,13H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 310.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).