N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine

C9H15N3S — CID 106972533

IUPACN-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCC(C)C)ncn1
InChIInChI=1S/C9H15N3S/c1-7(2)5-10-8-4-9(13-3)12-6-11-8/h4,6-7H,5H2,1-3H3,(H,10,11,12)
InChIKeyCCERZZXGLHFMGZ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.27
Rot. Bonds4

About N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine

N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972533) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972533
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCC(C)C)ncn1
InChIInChI=1S/C9H15N3S/c1-7(2)5-10-8-4-9(13-3)12-6-11-8/h4,6-7H,5H2,1-3H3,(H,10,11,12)
InChIKeyCCERZZXGLHFMGZ-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972899
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004
N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106972989
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784
6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 106972720

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine (CID 106972533) is N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NCC(C)C)ncn1.
What is the InChIKey of N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is CCERZZXGLHFMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7(2)5-10-8-4-9(13-3)12-6-11-8/h4,6-7H,5H2,1-3H3,(H,10,11,12).
What are the key properties of N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine?
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 197.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).