2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C15H27N3S — CID 65138244

IUPAC2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(CSC(C)(C)C)n1
InChIInChI=1S/C15H27N3S/c1-7-8-16-13-9-12(11(2)3)17-14(18-13)10-19-15(4,5)6/h9,11H,7-8,10H2,1-6H3,(H,16,17,18)
InChIKeyBLATZXMJXVZCPV-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.45
Rot. Bonds6

About 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 65138244) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID65138244
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(CSC(C)(C)C)n1
InChIInChI=1S/C15H27N3S/c1-7-8-16-13-9-12(11(2)3)17-14(18-13)10-19-15(4,5)6/h9,11H,7-8,10H2,1-6H3,(H,16,17,18)
InChIKeyBLATZXMJXVZCPV-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine
CID 65138083
2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65140283
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-(tert-butylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137813
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62716221
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150314
2-N,2-N-diethyl-6-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 62190765
2-(2-methylcyclopropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65419575
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137505

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 65138244) is 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(CSC(C)(C)C)n1.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is BLATZXMJXVZCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-7-8-16-13-9-12(11(2)3)17-14(18-13)10-19-15(4,5)6/h9,11H,7-8,10H2,1-6H3,(H,16,17,18).
What are the key properties of 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 281.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65138244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).