N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine

C12H21N3 — CID 115685847

IUPACN-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC(C)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-6-10-7-11(14-8-13-10)15-9(2)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyARCQCWGTQDPTCN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine

N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine (PubChem CID 115685847) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
PubChem CID115685847
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC(C)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-6-10-7-11(14-8-13-10)15-9(2)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyARCQCWGTQDPTCN-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-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

6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
CID 130875143
6-ethyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 115637622
3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 78997265
6-ethyl-N-(2-methoxypropyl)pyrimidin-4-amine
CID 102699039
N-(1-chloro-4-methylpentan-2-yl)-6-ethylpyrimidin-4-amine
CID 65029445
1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 107159268
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805
6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 55037969
6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine
CID 115657894
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine
CID 103703591
4,6-diethylpyrimidine;N-methylmethanamine
CID 67760637

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine (CID 115685847) is N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine is CCc1cc(NC(C)C(C)(C)C)ncn1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is ARCQCWGTQDPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-10-7-11(14-8-13-10)15-9(2)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine?
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 115685847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).