4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide

C17H27N5O3 — CID 71237054

IUPAC4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H]3O)n2)CC1
InChIInChI=1S/C17H27N5O3/c1-25-11-7-5-10(6-8-11)20-17-19-9-12(15(18)24)16(22-17)21-13-3-2-4-14(13)23/h9-11,13-14,23H,2-8H2,1H3,(H2,18,24)(H2,19,20,21,22)/t10?,11?,13-,14-/m1/s1
InChIKeyPAFAQDZWSXKXFL-GVOSGWPFSA-N
MW349.44 g/mol
LogP1.27
Rot. Bonds6

About 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide

4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237054) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID71237054
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H]3O)n2)CC1
InChIInChI=1S/C17H27N5O3/c1-25-11-7-5-10(6-8-11)20-17-19-9-12(15(18)24)16(22-17)21-13-3-2-4-14(13)23/h9-11,13-14,23H,2-8H2,1H3,(H2,18,24)(H2,19,20,21,22)/t10?,11?,13-,14-/m1/s1
InChIKeyPAFAQDZWSXKXFL-GVOSGWPFSA-N
XLogP1.27
TPSA122.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 71237054) is 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide is COC1CCC(Nc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H]3O)n2)CC1.
What is the InChIKey of 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is PAFAQDZWSXKXFL-GVOSGWPFSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-25-11-7-5-10(6-8-11)20-17-19-9-12(15(18)24)16(22-17)21-13-3-2-4-14(13)23/h9-11,13-14,23H,2-8H2,1H3,(H2,18,24)(H2,19,20,21,22)/t10?,11?,13-,14-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).