2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C9H13N3O2 — CID 63554288

IUPAC2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CNC2CC2)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-5-8(13)11-7(12-9(5)14)4-10-6-2-3-6/h6,10H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyZCBPPHNIYVHQCW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.04
Rot. Bonds3

About 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63554288) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63554288
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CNC2CC2)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-5-8(13)11-7(12-9(5)14)4-10-6-2-3-6/h6,10H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyZCBPPHNIYVHQCW-UHFFFAOYSA-N
XLogP0.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63554288) is 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(CNC2CC2)[nH]c1=O.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ZCBPPHNIYVHQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-8(13)11-7(12-9(5)14)4-10-6-2-3-6/h6,10H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).