N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine

C17H31N3S — CID 65041152

IUPACN-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
SMILESCCCNC(CCC)C(CC)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C17H31N3S/c1-7-10-15(18-11-8-2)16(9-3)21-17-19-13(5)12(4)14(6)20-17/h15-16,18H,7-11H2,1-6H3
InChIKeyFMTQZQPFIPTTEC-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.44
Rot. Bonds9

About N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine

N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine (PubChem CID 65041152) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine.

Molecular Properties

Compound NameN-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
PubChem CID65041152
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
SMILESCCCNC(CCC)C(CC)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C17H31N3S/c1-7-10-15(18-11-8-2)16(9-3)21-17-19-13(5)12(4)14(6)20-17/h15-16,18H,7-11H2,1-6H3
InChIKeyFMTQZQPFIPTTEC-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65040959
3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65041002
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine
CID 64632499
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylheptan-4-amine
CID 64626634
N-propyl-3-propylsulfanylheptan-4-amine
CID 64615304
N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041377
3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 65041207
N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]heptan-4-amine
CID 64627935
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 65041314
3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 104842295
3-(2-nitrophenyl)sulfanyl-N-propylheptan-4-amine
CID 64612360
1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 65041016

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine?
The IUPAC name of N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine (CID 65041152) is N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine.
What is the SMILES notation for N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine?
The canonical SMILES for N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine is CCCNC(CCC)C(CC)Sc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine?
The InChIKey is FMTQZQPFIPTTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-7-10-15(18-11-8-2)16(9-3)21-17-19-13(5)12(4)14(6)20-17/h15-16,18H,7-11H2,1-6H3.
What are the key properties of N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine?
N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine has a molecular weight of 309.52 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine is sourced from PubChem (CID 65041152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).