4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

C14H21N3O2 — CID 136827309

IUPAC4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCCO)C2CCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-8-2-7-17(11-3-1-4-11)12-9-13(19)16-14(15-12)10-5-6-10/h9-11,18H,1-8H2,(H,15,16,19)
InChIKeyQPYYLQCEOOTOCT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.39
Rot. Bonds6

About 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136827309) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136827309
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCCO)C2CCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-8-2-7-17(11-3-1-4-11)12-9-13(19)16-14(15-12)10-5-6-10/h9-11,18H,1-8H2,(H,15,16,19)
InChIKeyQPYYLQCEOOTOCT-UHFFFAOYSA-N
XLogP1.39
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849690
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772473
4-[cyclobutyl(3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136827304
4-[cyclobutyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136827305
4-[cyclobutyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136827313
4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136827314
4-[cyclobutyl(2-hydroxyethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136827318
4-[3-aminopropyl(cyclobutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136827339
2-cyclopropyl-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847968
2-cyclopropyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847977

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136827309) is 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(N(CCCO)C2CCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is QPYYLQCEOOTOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-8-2-7-17(11-3-1-4-11)12-9-13(19)16-14(15-12)10-5-6-10/h9-11,18H,1-8H2,(H,15,16,19).
What are the key properties of 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(3-hydroxypropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136827309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).