2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one

C14H21N3O2 — CID 136976686

IUPAC2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C14H21N3O2/c1-14(2)8-10(5-6-19-14)15-11-7-12(18)17-13(16-11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyHNAKBVKIJWMIEO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds3

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

2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976686) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976686
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C14H21N3O2/c1-14(2)8-10(5-6-19-14)15-11-7-12(18)17-13(16-11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyHNAKBVKIJWMIEO-UHFFFAOYSA-N
XLogP2.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one (CID 136976686) is 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one is CC1(C)CC(Nc2cc(=O)[nH]c(C3CC3)n2)CCO1.
What is the InChIKey of 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is HNAKBVKIJWMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)8-10(5-6-19-14)15-11-7-12(18)17-13(16-11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).