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

C9H14N4O2 — CID 135489794

IUPAC2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESNc1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c10-8-12-6(3-7(15)13-8)11-4-9(5-14)1-2-9/h3,14H,1-2,4-5H2,(H4,10,11,12,13,15)
InChIKeyQTIZFSVGPXWQLR-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.46
Rot. Bonds4

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

2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 135489794) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID135489794
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESNc1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c10-8-12-6(3-7(15)13-8)11-4-9(5-14)1-2-9/h3,14H,1-2,4-5H2,(H4,10,11,12,13,15)
InChIKeyQTIZFSVGPXWQLR-UHFFFAOYSA-N
XLogP-0.46
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 135489794) is 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is Nc1nc(NCC2(CO)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is QTIZFSVGPXWQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-12-6(3-7(15)13-8)11-4-9(5-14)1-2-9/h3,14H,1-2,4-5H2,(H4,10,11,12,13,15).
What are the key properties of 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135489794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).