2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine

C15H28N4S — CID 80983553

IUPAC2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NCC(C)CSC)c1C
InChIInChI=1S/C15H28N4S/c1-10(9-20-7)8-17-13-11(2)12(16-6)18-14(19-13)15(3,4)5/h10H,8-9H2,1-7H3,(H2,16,17,18,19)
InChIKeyGMPGRNNFNBFXCC-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.54
Rot. Bonds6

About 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine

2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine (PubChem CID 80983553) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
PubChem CID80983553
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NCC(C)CSC)c1C
InChIInChI=1S/C15H28N4S/c1-10(9-20-7)8-17-13-11(2)12(16-6)18-14(19-13)15(3,4)5/h10H,8-9H2,1-7H3,(H2,16,17,18,19)
InChIKeyGMPGRNNFNBFXCC-UHFFFAOYSA-N
XLogP3.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
2-tert-butyl-6-N,5-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80983862
3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80994978
2-tert-butyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80980888
2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985227
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-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
2-tert-butyl-4-N-[2-(diethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981478
6-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838517
2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944764
6-hydrazinyl-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913030

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine (CID 80983553) is 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine is CNc1nc(C(C)(C)C)nc(NCC(C)CSC)c1C.
What is the InChIKey of 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The InChIKey is GMPGRNNFNBFXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-10(9-20-7)8-17-13-11(2)12(16-6)18-14(19-13)15(3,4)5/h10H,8-9H2,1-7H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine has a molecular weight of 296.48 g/mol, XLogP of 3.54, 6 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-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).