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

C10H15N3O2 — CID 136951260

IUPAC4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(CCO)CC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-4-3-10(1-2-10)6-11-8-5-9(15)13-7-12-8/h5,7,14H,1-4,6H2,(H2,11,12,13,15)
InChIKeyLHIGNMBTYIIDNG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.34
Rot. Bonds5

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

4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136951260) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136951260
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(CCO)CC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-4-3-10(1-2-10)6-11-8-5-9(15)13-7-12-8/h5,7,14H,1-4,6H2,(H2,11,12,13,15)
InChIKeyLHIGNMBTYIIDNG-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(((1-(hydroxymethyl)cyclopropyl)methyl)amino)-4-pyrimidinol
CID 135489794
2-amino-4-[[2-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136197575
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772474
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847970
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857355
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857363
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864263
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136951256
5-chloro-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136951257
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136951258

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136951260) is 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(CCO)CC2)nc[nH]1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is LHIGNMBTYIIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-4-3-10(1-2-10)6-11-8-5-9(15)13-7-12-8/h5,7,14H,1-4,6H2,(H2,11,12,13,15).
What are the key properties of 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136951260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).