2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine

C16H24N4S — CID 80984832

IUPAC2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NCc2ccc(C)s2)c1C
InChIInChI=1S/C16H24N4S/c1-10-7-8-12(21-10)9-18-14-11(2)13(17-6)19-15(20-14)16(3,4)5/h7-8H,9H2,1-6H3,(H2,17,18,19,20)
InChIKeyWXMDROOXWTVLQS-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.11
Rot. Bonds4

About 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine

2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80984832) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80984832
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NCc2ccc(C)s2)c1C
InChIInChI=1S/C16H24N4S/c1-10-7-8-12(21-10)9-18-14-11(2)13(17-6)19-15(20-14)16(3,4)5/h7-8H,9H2,1-6H3,(H2,17,18,19,20)
InChIKeyWXMDROOXWTVLQS-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine 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-6-chloro-5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80972406
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
2-tert-butyl-6-N,5-dimethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992792
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992230
2-tert-butyl-6-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80984747
2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874404
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
2-tert-butyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80980888
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80981514
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine (CID 80984832) is 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine is CNc1nc(C(C)(C)C)nc(NCc2ccc(C)s2)c1C.
What is the InChIKey of 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is WXMDROOXWTVLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-10-7-8-12(21-10)9-18-14-11(2)13(17-6)19-15(20-14)16(3,4)5/h7-8H,9H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine?
2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80984832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).