5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 136827317

IUPAC5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCO)C2CCC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(12-6-13-10(8)16)14(4-5-15)7-2-1-3-7/h6-7,15H,1-5H2,(H,12,13,16)
InChIKeyFURNUSNNUCKYQB-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.77
Rot. Bonds4

About 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136827317) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID136827317
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCO)C2CCC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(12-6-13-10(8)16)14(4-5-15)7-2-1-3-7/h6-7,15H,1-5H2,(H,12,13,16)
InChIKeyFURNUSNNUCKYQB-UHFFFAOYSA-N
XLogP0.77
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737799
5-chloro-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932121
5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136827308
5-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827310
4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827315
4-[cyclobutyl(2-hydroxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827316
5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900935
5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900944
4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136971101
5-chloro-4-[cyclobutyl(methyl)amino]-1H-pyrimidin-6-one
CID 136971615
5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973818
5-chloro-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136973936

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (CID 136827317) is 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(N(CCO)C2CCC2)c1Cl.
What is the InChIKey of 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FURNUSNNUCKYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-9(12-6-13-10(8)16)14(4-5-15)7-2-1-3-7/h6-7,15H,1-5H2,(H,12,13,16).
What are the key properties of 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136827317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).