2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine

C20H28N4O — CID 112910537

IUPAC2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1cccc(CCNc2cc(C)nc(NC3CCCCC3)n2)c1
InChIInChI=1S/C20H28N4O/c1-15-13-19(21-12-11-16-7-6-10-18(14-16)25-2)24-20(22-15)23-17-8-4-3-5-9-17/h6-7,10,13-14,17H,3-5,8-9,11-12H2,1-2H3,(H2,21,22,23,24)
InChIKeyMLUVFKWFLVPGHR-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.19
Rot. Bonds7

About 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine

2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112910537) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112910537
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1cccc(CCNc2cc(C)nc(NC3CCCCC3)n2)c1
InChIInChI=1S/C20H28N4O/c1-15-13-19(21-12-11-16-7-6-10-18(14-16)25-2)24-20(22-15)23-17-8-4-3-5-9-17/h6-7,10,13-14,17H,3-5,8-9,11-12H2,1-2H3,(H2,21,22,23,24)
InChIKeyMLUVFKWFLVPGHR-UHFFFAOYSA-N
XLogP4.19
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895253
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
2-N-(3-methoxyphenyl)-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921166
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912611
2-N-cyclohexyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112910505
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907924
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
2-N-cyclohexyl-4-N-[(3-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23900797
2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112910525
2-N-[4-(dimethylamino)phenyl]-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921183
4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112915134

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112910537) is 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine is COc1cccc(CCNc2cc(C)nc(NC3CCCCC3)n2)c1.
What is the InChIKey of 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is MLUVFKWFLVPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-13-19(21-12-11-16-7-6-10-18(14-16)25-2)24-20(22-15)23-17-8-4-3-5-9-17/h6-7,10,13-14,17H,3-5,8-9,11-12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 340.47 g/mol, XLogP of 4.19, 7 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-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).