4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine

C10H17N3O — CID 165484904

IUPAC4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(N)nc1CC(C)(C)C
InChIInChI=1S/C10H17N3O/c1-10(2,3)5-7-8(14-4)6-12-9(11)13-7/h6H,5H2,1-4H3,(H2,11,12,13)
InChIKeyBBWQXMKHMIKTQA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.66
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine

4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine (PubChem CID 165484904) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine
PubChem CID165484904
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(N)nc1CC(C)(C)C
InChIInChI=1S/C10H17N3O/c1-10(2,3)5-7-8(14-4)6-12-9(11)13-7/h6H,5H2,1-4H3,(H2,11,12,13)
InChIKeyBBWQXMKHMIKTQA-UHFFFAOYSA-N
XLogP1.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine
CID 139395595
4,5-dimethoxypyrimidin-2-amine
CID 12988104
4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine
CID 165484905
2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093
5-(2-amino-5-methoxypyrimidin-4-yl)-4-methoxypyrimidin-2-amine
CID 51063035
5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine
CID 157446765
3-(5-methoxy-2-methylpyrimidin-4-yl)-2-methylpropan-1-amine
CID 83879523
5-(3,4,5-trimethoxyphenoxy)pyrimidine-2,4-diamine
CID 626130
4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
CID 70856461
[2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine
CID 174471022
4-tert-butyl-2-chloro-5-methoxypyrimidine
CID 151911521
5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine
CID 516684

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine (CID 165484904) is 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine is COc1cnc(N)nc1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine?
The InChIKey is BBWQXMKHMIKTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)5-7-8(14-4)6-12-9(11)13-7/h6H,5H2,1-4H3,(H2,11,12,13).
What are the key properties of 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine?
4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 165484904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).