2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one

C14H21N3O2 — CID 136975428

IUPAC2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-9-14(6-2-1-3-7-14)17-11-8-12(19)16-13(15-11)10-4-5-10/h8,10,18H,1-7,9H2,(H2,15,16,17,19)
InChIKeyPXSJCMCGAZUWHA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds4

About 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136975428) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136975428
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-9-14(6-2-1-3-7-14)17-11-8-12(19)16-13(15-11)10-4-5-10/h8,10,18H,1-7,9H2,(H2,15,16,17,19)
InChIKeyPXSJCMCGAZUWHA-UHFFFAOYSA-N
XLogP1.75
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136975428) is 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one is O=c1cc(NC2(CO)CCCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is PXSJCMCGAZUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-9-14(6-2-1-3-7-14)17-11-8-12(19)16-13(15-11)10-4-5-10/h8,10,18H,1-7,9H2,(H2,15,16,17,19).
What are the key properties of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).