N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine

C13H23N3S — CID 65137505

IUPACN-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(CSCC(C)C)n1
InChIInChI=1S/C13H23N3S/c1-9(2)7-17-8-13-15-11(10(3)4)6-12(14-5)16-13/h6,9-10H,7-8H2,1-5H3,(H,14,15,16)
InChIKeyYUNGBRLODMBNBO-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.53
Rot. Bonds6

About N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine

N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 65137505) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID65137505
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(CSCC(C)C)n1
InChIInChI=1S/C13H23N3S/c1-9(2)7-17-8-13-15-11(10(3)4)6-12(14-5)16-13/h6,9-10H,7-8H2,1-5H3,(H,14,15,16)
InChIKeyYUNGBRLODMBNBO-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 65144459
N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62474014
2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62830386
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 65136966
6-ethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 65137126
2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65140283
N-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-6-propan-2-ylpyrimidin-4-amine
CID 66087219
2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 79088441
5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 66317448
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine (CID 65137505) is N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine is CNc1cc(C(C)C)nc(CSCC(C)C)n1.
What is the InChIKey of N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is YUNGBRLODMBNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)7-17-8-13-15-11(10(3)4)6-12(14-5)16-13/h6,9-10H,7-8H2,1-5H3,(H,14,15,16).
What are the key properties of N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine?
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 65137505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).