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

C9H13N3O2 — CID 136956672

IUPAC4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(O)C2CC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-7(6-1-2-6)4-10-8-3-9(14)12-5-11-8/h3,5-7,13H,1-2,4H2,(H2,10,11,12,14)
InChIKeyUWXUJOTZTGRBPD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.05
Rot. Bonds4

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

4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956672) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID136956672
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(O)C2CC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-7(6-1-2-6)4-10-8-3-9(14)12-5-11-8/h3,5-7,13H,1-2,4H2,(H2,10,11,12,14)
InChIKeyUWXUJOTZTGRBPD-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-6-(3-hydroxypiperidin-1-yl)pyrimidine
CID 136276594
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703835
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749166
4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811796
4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817758
4-[(3-ethyl-2-hydroxypentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136817761
2-cyclopropyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817768
4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902424

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one (CID 136956672) is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one is O=c1cc(NCC(O)C2CC2)nc[nH]1.
What is the InChIKey of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UWXUJOTZTGRBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7(6-1-2-6)4-10-8-3-9(14)12-5-11-8/h3,5-7,13H,1-2,4H2,(H2,10,11,12,14).
What are the key properties of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).