2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

C17H31N3S — CID 65137564

IUPAC2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CSCC(C)C)nc(C)c1C(C)CNC(C)C
InChIInChI=1S/C17H31N3S/c1-11(2)9-21-10-16-19-14(6)17(15(7)20-16)13(5)8-18-12(3)4/h11-13,18H,8-10H2,1-7H3
InChIKeyHRAZWTPOLWKGEA-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.08
Rot. Bonds8

About 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 65137564) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
PubChem CID65137564
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CSCC(C)C)nc(C)c1C(C)CNC(C)C
InChIInChI=1S/C17H31N3S/c1-11(2)9-21-10-16-19-14(6)17(15(7)20-16)13(5)8-18-12(3)4/h11-13,18H,8-10H2,1-7H3
InChIKeyHRAZWTPOLWKGEA-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (CID 65137564) is 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is Cc1nc(CSCC(C)C)nc(C)c1C(C)CNC(C)C.
What is the InChIKey of 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is HRAZWTPOLWKGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-11(2)9-21-10-16-19-14(6)17(15(7)20-16)13(5)8-18-12(3)4/h11-13,18H,8-10H2,1-7H3.
What are the key properties of 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65137564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).