6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine

C12H21N3O — CID 116502971

IUPAC6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)c1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(7-16-5)11-14-9(12(2,3)4)6-10(13)15-11/h6,8H,7H2,1-5H3,(H2,13,14,15)
InChIKeyRIFQAXGTNSJBOO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds3

About 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine

6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine (PubChem CID 116502971) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
PubChem CID116502971
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)c1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(7-16-5)11-14-9(12(2,3)4)6-10(13)15-11/h6,8H,7H2,1-5H3,(H2,13,14,15)
InChIKeyRIFQAXGTNSJBOO-UHFFFAOYSA-N
XLogP2.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502346
[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine
CID 116503109
2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine
CID 63321483
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
2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 133367691
5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502371
6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693647
6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965218
6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
CID 116775612
4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502347

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine (CID 116502971) is 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine is COCC(C)c1nc(N)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The InChIKey is RIFQAXGTNSJBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(7-16-5)11-14-9(12(2,3)4)6-10(13)15-11/h6,8H,7H2,1-5H3,(H2,13,14,15).
What are the key properties of 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 116502971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).