(4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine

C9H15N3S — CID 83915885

IUPAC(4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine
SMILESCSc1cc(C(C)C)nc(CN)n1
InChIInChI=1S/C9H15N3S/c1-6(2)7-4-9(13-3)12-8(5-10)11-7/h4,6H,5,10H2,1-3H3
InChIKeyVABZQNYEASNXHF-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.78
Rot. Bonds3

About (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine

(4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine (PubChem CID 83915885) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine
PubChem CID83915885
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name(4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine
SMILESCSc1cc(C(C)C)nc(CN)n1
InChIInChI=1S/C9H15N3S/c1-6(2)7-4-9(13-3)12-8(5-10)11-7/h4,6H,5,10H2,1-3H3
InChIKeyVABZQNYEASNXHF-UHFFFAOYSA-N
XLogP1.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine
CID 83915771
2-ethyl-4-fluoro-6-propan-2-ylpyridine
CID 155119426
2-(tert-butylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137813
(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851945
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine
CID 63318793
ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine
CID 142845622
4-ethyl-2,6-bis(methylsulfanyl)pyrimidine
CID 130708904
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine
CID 83852742
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137505
2-(6-propan-2-yl-2-pyridinyl)ethanamine
CID 20823809

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine?
The IUPAC name of (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine (CID 83915885) is (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine.
What is the SMILES notation for (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine?
The canonical SMILES for (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine is CSc1cc(C(C)C)nc(CN)n1.
What is the InChIKey of (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine?
The InChIKey is VABZQNYEASNXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)7-4-9(13-3)12-8(5-10)11-7/h4,6H,5,10H2,1-3H3.
What are the key properties of (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine?
(4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 83915885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).