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

C11H17N3O2 — CID 136957034

IUPAC4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2cc(=O)[nH]cn2)CCO1
InChIInChI=1S/C11H17N3O2/c1-11(2)6-8(3-4-16-11)14-9-5-10(15)13-7-12-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDCEHEMHQSJYHQB-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.14
Rot. Bonds2

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

4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957034) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957034
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2cc(=O)[nH]cn2)CCO1
InChIInChI=1S/C11H17N3O2/c1-11(2)6-8(3-4-16-11)14-9-5-10(15)13-7-12-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDCEHEMHQSJYHQB-UHFFFAOYSA-N
XLogP1.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696622
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857180
4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136956148
5-bromo-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136957033
4-[(2,2-diethyloxan-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957035
4-[(2,2-diethyloxan-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957036
5-bromo-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136957037
4-[methyl(oxan-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136957870
5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136976685
2-cyclopropyl-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136976686
5-chloro-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136976687

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one (CID 136957034) is 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one is CC1(C)CC(Nc2cc(=O)[nH]cn2)CCO1.
What is the InChIKey of 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is DCEHEMHQSJYHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2)6-8(3-4-16-11)14-9-5-10(15)13-7-12-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).