2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one

C14H17N3O2 — CID 136974495

IUPAC2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one
SMILESCC(Cc1ccco1)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H17N3O2/c1-9(7-11-3-2-6-19-11)15-12-8-13(18)17-14(16-12)10-4-5-10/h2-3,6,8-10H,4-5,7H2,1H3,(H2,15,16,17,18)
InChIKeyZWHVRCNDWIVXBF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.28
Rot. Bonds5

About 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one (PubChem CID 136974495) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one
PubChem CID136974495
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one
SMILESCC(Cc1ccco1)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H17N3O2/c1-9(7-11-3-2-6-19-11)15-12-8-13(18)17-14(16-12)10-4-5-10/h2-3,6,8-10H,4-5,7H2,1H3,(H2,15,16,17,18)
InChIKeyZWHVRCNDWIVXBF-UHFFFAOYSA-N
XLogP2.28
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine
CID 80962005
2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824093
2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016366
4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine
CID 114053032
2-N-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
CID 80803462
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975504
N-[1-(furan-2-yl)propan-2-yl]-6-hydrazinylpyrazin-2-amine
CID 80896852
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one (CID 136974495) is 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one is CC(Cc1ccco1)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one?
The InChIKey is ZWHVRCNDWIVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(7-11-3-2-6-19-11)15-12-8-13(18)17-14(16-12)10-4-5-10/h2-3,6,8-10H,4-5,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).