2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one

C12H15N5O — CID 137016422

IUPAC2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCn1nccc1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N5O/c1-17-9(4-5-14-17)7-13-10-6-11(18)16-12(15-10)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16,18)
InChIKeyIHUNYCYRKGFEAH-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.99
Rot. Bonds4

About 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137016422) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID137016422
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCn1nccc1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N5O/c1-17-9(4-5-14-17)7-13-10-6-11(18)16-12(15-10)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16,18)
InChIKeyIHUNYCYRKGFEAH-UHFFFAOYSA-N
XLogP0.99
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one (CID 137016422) is 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one is Cn1nccc1CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is IHUNYCYRKGFEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-9(4-5-14-17)7-13-10-6-11(18)16-12(15-10)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16,18).
What are the key properties of 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 245.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).