1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one

C11H17N3O — CID 147303015

IUPAC1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one
SMILESCCC(=O)c1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C11H17N3O/c1-5-7(15)10-13-8(11(2,3)4)6-9(12)14-10/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyCWLRPTMWMWKDAY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.95
Rot. Bonds2

About 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one

1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one (PubChem CID 147303015) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one
PubChem CID147303015
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one
SMILESCCC(=O)c1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C11H17N3O/c1-5-7(15)10-13-8(11(2,3)4)6-9(12)14-10/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyCWLRPTMWMWKDAY-UHFFFAOYSA-N
XLogP1.95
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
CID 58291736
2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 106331302
6-tert-butyl-2-chloropyrimidin-4-amine
CID 58008872
6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine
CID 63891743
4,6-ditert-butylpyridin-2-amine
CID 166788497
6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 65127560
6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693647
2-amino-6-tert-butyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113380941
6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
CID 116775612
6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557312
N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide
CID 67953905
6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116502971

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one?
The IUPAC name of 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one (CID 147303015) is 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one?
The canonical SMILES for 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one is CCC(=O)c1nc(N)cc(C(C)(C)C)n1.
What is the InChIKey of 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one?
The InChIKey is CWLRPTMWMWKDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-5-7(15)10-13-8(11(2,3)4)6-9(12)14-10/h6H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one?
1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one is sourced from PubChem (CID 147303015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).