2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C12H15N5O — CID 136980837

IUPAC2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(C(N)C3CC3)n2)cn1
InChIInChI=1S/C12H15N5O/c1-17-6-8(5-14-17)9-4-10(18)16-12(15-9)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3,(H,15,16,18)
InChIKeyHWCFPOJWBMFZHW-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.58
Rot. Bonds3

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

2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136980837) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136980837
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(C(N)C3CC3)n2)cn1
InChIInChI=1S/C12H15N5O/c1-17-6-8(5-14-17)9-4-10(18)16-12(15-9)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3,(H,15,16,18)
InChIKeyHWCFPOJWBMFZHW-UHFFFAOYSA-N
XLogP0.58
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one
CID 136771755
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
2-(3-aminopentan-3-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771918
2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980824
2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771723
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798
2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771714
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
2-(3-ethylcyclohexyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771667
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
4-(1-methylpyrazol-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidin-6-one
CID 136771679
4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136980831

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136980837) is 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is Cn1cc(-c2cc(=O)[nH]c(C(N)C3CC3)n2)cn1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is HWCFPOJWBMFZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-6-8(5-14-17)9-4-10(18)16-12(15-9)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3,(H,15,16,18).
What are the key properties of 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 245.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136980837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).