4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine

C17H23N5O — CID 19149265

IUPAC4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(NC3CCCC3)c2N)cc1
InChIInChI=1S/C17H23N5O/c1-2-23-14-9-7-13(8-10-14)22-17-15(18)16(19-11-20-17)21-12-5-3-4-6-12/h7-12H,2-6,18H2,1H3,(H2,19,20,21,22)
InChIKeyQUSVWAIELWEKAC-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.56
Rot. Bonds6

About 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine

4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19149265) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19149265
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(NC3CCCC3)c2N)cc1
InChIInChI=1S/C17H23N5O/c1-2-23-14-9-7-13(8-10-14)22-17-15(18)16(19-11-20-17)21-12-5-3-4-6-12/h7-12H,2-6,18H2,1H3,(H2,19,20,21,22)
InChIKeyQUSVWAIELWEKAC-UHFFFAOYSA-N
XLogP3.56
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-butoxyphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19143097
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
methyl 4-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]amino]benzoate
CID 19149466
N-[4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19153335
4-N-(1-adamantyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143468
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19154101
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19149265) is 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine is CCOc1ccc(Nc2ncnc(NC3CCCC3)c2N)cc1.
What is the InChIKey of 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is QUSVWAIELWEKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-23-14-9-7-13(8-10-14)22-17-15(18)16(19-11-20-17)21-12-5-3-4-6-12/h7-12H,2-6,18H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 313.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19149265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).