2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

C19H26N4O — CID 112910525

IUPAC2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1cc(C)nc(NC2CCCCC2)n1
InChIInChI=1S/C19H26N4O/c1-14-12-18(20-13-15-8-6-7-11-17(15)24-2)23-19(21-14)22-16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyAXTIRJDJOFPJDM-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.15
Rot. Bonds6

About 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112910525) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112910525
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1cc(C)nc(NC2CCCCC2)n1
InChIInChI=1S/C19H26N4O/c1-14-12-18(20-13-15-8-6-7-11-17(15)24-2)23-19(21-14)22-16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyAXTIRJDJOFPJDM-UHFFFAOYSA-N
XLogP4.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
4-N-[(2-chlorophenyl)methyl]-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907552
5-N-cyclopentyl-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112941449
2-N-[(2-methoxyphenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916343
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112910537
2-N-(3,4-dimethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918255
2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918282
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918230
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918295
2-N-cyclohexyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112910505

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112910525) is 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is COc1ccccc1CNc1cc(C)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is AXTIRJDJOFPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-12-18(20-13-15-8-6-7-11-17(15)24-2)23-19(21-14)22-16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 326.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).