2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine

C14H19N5 — CID 80974807

IUPAC2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cncnc2)c1C
InChIInChI=1S/C14H19N5/c1-9-11(10-6-16-8-17-7-10)18-13(14(2,3)4)19-12(9)15-5/h6-8H,1-5H3,(H,15,18,19)
InChIKeyCUDZRIUPFWSXOD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds2

About 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine (PubChem CID 80974807) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine
PubChem CID80974807
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cncnc2)c1C
InChIInChI=1S/C14H19N5/c1-9-11(10-6-16-8-17-7-10)18-13(14(2,3)4)19-12(9)15-5/h6-8H,1-5H3,(H,15,18,19)
InChIKeyCUDZRIUPFWSXOD-UHFFFAOYSA-N
XLogP2.58
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-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

2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine
CID 115375469
2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 80974722
2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80978583
2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977826
2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80977836
2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
CID 80977116
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829
2-tert-butyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80980888
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80984832
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine (CID 80974807) is 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(-c2cncnc2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine?
The InChIKey is CUDZRIUPFWSXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9-11(10-6-16-8-17-7-10)18-13(14(2,3)4)19-12(9)15-5/h6-8H,1-5H3,(H,15,18,19).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine is sourced from PubChem (CID 80974807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).