N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide

C14H21N3O3 — CID 143797070

IUPACN-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide
SMILESCC(CO)NC(=O)C1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H21N3O3/c1-10(9-18)17-13(19)11-3-5-12(6-4-11)20-14-15-7-2-8-16-14/h2,7-8,10-12,18H,3-6,9H2,1H3,(H,17,19)
InChIKeySVODQHPHUVTYPH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.91
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide

N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide (PubChem CID 143797070) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide
PubChem CID143797070
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide
SMILESCC(CO)NC(=O)C1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H21N3O3/c1-10(9-18)17-13(19)11-3-5-12(6-4-11)20-14-15-7-2-8-16-14/h2,7-8,10-12,18H,3-6,9H2,1H3,(H,17,19)
InChIKeySVODQHPHUVTYPH-UHFFFAOYSA-N
XLogP0.91
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide (CID 143797070) is N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide is CC(CO)NC(=O)C1CCC(Oc2ncccn2)CC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide?
The InChIKey is SVODQHPHUVTYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(9-18)17-13(19)11-3-5-12(6-4-11)20-14-15-7-2-8-16-14/h2,7-8,10-12,18H,3-6,9H2,1H3,(H,17,19).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide?
N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-pyrimidin-2-yloxycyclohexane-1-carboxamide is sourced from PubChem (CID 143797070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).