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

C11H18N4O2 — CID 136976685

IUPAC5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2nc[nH]c(=O)c2N)CCO1
InChIInChI=1S/C11H18N4O2/c1-11(2)5-7(3-4-17-11)15-9-8(12)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyOVYDKHDWTBZUSL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds2

About 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976685) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976685
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2nc[nH]c(=O)c2N)CCO1
InChIInChI=1S/C11H18N4O2/c1-11(2)5-7(3-4-17-11)15-9-8(12)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyOVYDKHDWTBZUSL-UHFFFAOYSA-N
XLogP0.72
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696616
5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754604
5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819535
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
5-amino-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857175
5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905795
5-bromo-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136957033
4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136957034
4-[(2,2-diethyloxan-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957035
5-amino-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136974085
5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974438
5-amino-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136975718

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one (CID 136976685) is 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one is CC1(C)CC(Nc2nc[nH]c(=O)c2N)CCO1.
What is the InChIKey of 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is OVYDKHDWTBZUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2)5-7(3-4-17-11)15-9-8(12)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2,2-dimethyloxan-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).