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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Related Compounds

2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 63891570
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 55209434
N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 65136966
2-[2-(2-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 62758023
3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293824
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62757106
N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 65138253
3-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 65293662
4-amino-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 116647312
5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 66317448
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65294013

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).