2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine

C15H27N3S — CID 65138083

IUPAC2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(CSC(C)(C)C)n1
InChIInChI=1S/C15H27N3S/c1-6-8-12-10-13(16-9-7-2)18-14(17-12)11-19-15(3,4)5/h10H,6-9,11H2,1-5H3,(H,16,17,18)
InChIKeyHPCUHTLTSRLEEJ-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.28
Rot. Bonds7

About 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine

2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 65138083) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine
PubChem CID65138083
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(CSC(C)(C)C)n1
InChIInChI=1S/C15H27N3S/c1-6-8-12-10-13(16-9-7-2)18-14(17-12)11-19-15(3,4)5/h10H,6-9,11H2,1-5H3,(H,16,17,18)
InChIKeyHPCUHTLTSRLEEJ-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
2-[2-(dimethylamino)ethyl]-N,6-dipropylpyrimidin-4-amine
CID 115346995
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
2-butyl-6-ethyl-N-propylpyrimidin-4-amine
CID 79413331
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 63354181
2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
CID 65133411
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine (CID 65138083) is 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine is CCCNc1cc(CCC)nc(CSC(C)(C)C)n1.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is HPCUHTLTSRLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-8-12-10-13(16-9-7-2)18-14(17-12)11-19-15(3,4)5/h10H,6-9,11H2,1-5H3,(H,16,17,18).
What are the key properties of 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine?
2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 281.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 65138083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).