2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one

C9H13N3O2 — CID 82469140

IUPAC2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCNC2CC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-5-9(14)12-7(11-8)3-4-10-6-1-2-6/h5-6,10H,1-4H2,(H2,11,12,13,14)
InChIKeyJBSQFGSNHMMAMT-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.23
Rot. Bonds4

About 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one

2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 82469140) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID82469140
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCNC2CC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-5-9(14)12-7(11-8)3-4-10-6-1-2-6/h5-6,10H,1-4H2,(H2,11,12,13,14)
InChIKeyJBSQFGSNHMMAMT-UHFFFAOYSA-N
XLogP-0.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Aminopropyl)-6-hydroxy-3,4-dihydropyrimidin-4-one hydrochloride
CID 165604793
2-(3-Aminopropyl)pyrimidine-4,6-diol
CID 63554638
2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550980
2-(2-Aminoethyl)pyrimidine-4,6-diol
CID 28063653
4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553741
2-(1-Aminoethyl)-6-hydroxypyrimidin-4(3h)-one
CID 63553913
2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63553920
2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63554287
2-(2-Aminopropyl)pyrimidine-4,6-diol
CID 63554645
2-(1-Aminopropyl)pyrimidine-4,6-diol
CID 63555001
2-(1-Aminopropan-2-yl)-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 63555178
2-(1-aminobutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555530

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 82469140) is 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(CCNC2CC2)[nH]1.
What is the InChIKey of 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is JBSQFGSNHMMAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-5-9(14)12-7(11-8)3-4-10-6-1-2-6/h5-6,10H,1-4H2,(H2,11,12,13,14).
What are the key properties of 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 82469140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).