N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine

C14H25N3S — CID 65136966

IUPACN,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(CSCC(C)C)nc(C)c1C(C)C
InChIInChI=1S/C14H25N3S/c1-9(2)7-18-8-12-16-11(5)13(10(3)4)14(15-6)17-12/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeySPROYDHXEIURRV-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.84
Rot. Bonds6

About N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine

N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 65136966) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID65136966
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(CSCC(C)C)nc(C)c1C(C)C
InChIInChI=1S/C14H25N3S/c1-9(2)7-18-8-12-16-11(5)13(10(3)4)14(15-6)17-12/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeySPROYDHXEIURRV-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65140533
2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 65137564
2-[(3-fluorophenyl)sulfanylmethyl]-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 66071084
2-[(3,5-dimethylphenyl)methyl]-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63485085
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137505
2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 62914200
3-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 65293662
6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63486822
4-amino-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 116647312
5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65131341
5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 66317448
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine (CID 65136966) is N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine is CNc1nc(CSCC(C)C)nc(C)c1C(C)C.
What is the InChIKey of N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is SPROYDHXEIURRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-9(2)7-18-8-12-16-11(5)13(10(3)4)14(15-6)17-12/h9-10H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine?
N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 65136966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).