2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one

C13H15N3O2 — CID 137016366

IUPAC2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)o1
InChIInChI=1S/C13H15N3O2/c1-8-2-5-10(18-8)7-14-11-6-12(17)16-13(15-11)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,14,15,16,17)
InChIKeyJSAPNTMPIISKNB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.16
Rot. Bonds4

About 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137016366) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID137016366
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)o1
InChIInChI=1S/C13H15N3O2/c1-8-2-5-10(18-8)7-14-11-6-12(17)16-13(15-11)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,14,15,16,17)
InChIKeyJSAPNTMPIISKNB-UHFFFAOYSA-N
XLogP2.16
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422
2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975561
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
4-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136975898
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-[(1-methylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974708
4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974738
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one (CID 137016366) is 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)o1.
What is the InChIKey of 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is JSAPNTMPIISKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-2-5-10(18-8)7-14-11-6-12(17)16-13(15-11)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 245.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).