N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine

C18H24N4O — CID 117211831

IUPACN'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCOc1ccccc1-c1nc(C2CCCC2)ncc1NCCN
InChIInChI=1S/C18H24N4O/c1-23-16-9-5-4-8-14(16)17-15(20-11-10-19)12-21-18(22-17)13-6-2-3-7-13/h4-5,8-9,12-13,20H,2-3,6-7,10-11,19H2,1H3
InChIKeyJDSAAUCZMUEZFC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.18
Rot. Bonds6

About N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine

N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211831) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211831
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCOc1ccccc1-c1nc(C2CCCC2)ncc1NCCN
InChIInChI=1S/C18H24N4O/c1-23-16-9-5-4-8-14(16)17-15(20-11-10-19)12-21-18(22-17)13-6-2-3-7-13/h4-5,8-9,12-13,20H,2-3,6-7,10-11,19H2,1H3
InChIKeyJDSAAUCZMUEZFC-UHFFFAOYSA-N
XLogP3.18
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211827
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212057
N'-(2-cyclobutylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212308
N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
CID 117211607
2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine
CID 83896746
N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211524
N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212505
2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
CID 136934549
2-cyclohexyl-5-methoxypyrimidin-4-amine
CID 83820292
N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212394

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117211831) is N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine is COc1ccccc1-c1nc(C2CCCC2)ncc1NCCN.
What is the InChIKey of N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is JDSAAUCZMUEZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-16-9-5-4-8-14(16)17-15(20-11-10-19)12-21-18(22-17)13-6-2-3-7-13/h4-5,8-9,12-13,20H,2-3,6-7,10-11,19H2,1H3.
What are the key properties of N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).