2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide

C17H27N5O2 — CID 71237573

IUPAC2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)nc1N[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C17H27N5O2/c18-15(24)14-10-19-17(21-11-5-2-1-3-6-11)22-16(14)20-12-7-4-8-13(23)9-12/h10-13,23H,1-9H2,(H2,18,24)(H2,19,20,21,22)/t12-,13+/m1/s1
InChIKeyWBXFOEOHNIQXIB-OLZOCXBDSA-N
MW333.44 g/mol
LogP2.04
Rot. Bonds5

About 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide

2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 71237573) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID71237573
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)nc1N[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C17H27N5O2/c18-15(24)14-10-19-17(21-11-5-2-1-3-6-11)22-16(14)20-12-7-4-8-13(23)9-12/h10-13,23H,1-9H2,(H2,18,24)(H2,19,20,21,22)/t12-,13+/m1/s1
InChIKeyWBXFOEOHNIQXIB-OLZOCXBDSA-N
XLogP2.04
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (CID 71237573) is 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCCCC2)nc1N[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is WBXFOEOHNIQXIB-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H27N5O2/c18-15(24)14-10-19-17(21-11-5-2-1-3-6-11)22-16(14)20-12-7-4-8-13(23)9-12/h10-13,23H,1-9H2,(H2,18,24)(H2,19,20,21,22)/t12-,13+/m1/s1.
What are the key properties of 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).