N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine

C9H15N3S — CID 80887439

IUPACN,5-dimethyl-4-propylsulfanylpyrimidin-2-amine
SMILESCCCSc1nc(NC)ncc1C
InChIInChI=1S/C9H15N3S/c1-4-5-13-8-7(2)6-11-9(10-3)12-8/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyYCGTWGHHVZQCTD-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.33
Rot. Bonds4

About N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine

N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine (PubChem CID 80887439) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-propylsulfanylpyrimidin-2-amine
PubChem CID80887439
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN,5-dimethyl-4-propylsulfanylpyrimidin-2-amine
SMILESCCCSc1nc(NC)ncc1C
InChIInChI=1S/C9H15N3S/c1-4-5-13-8-7(2)6-11-9(10-3)12-8/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyYCGTWGHHVZQCTD-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885145
4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
CID 80884313
4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80888484
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
N,5-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928309
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80894473
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
2-chloro-5-methyl-4-pentylsulfanylpyrimidine
CID 107751108
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80889068
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine (CID 80887439) is N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine is CCCSc1nc(NC)ncc1C.
What is the InChIKey of N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine?
The InChIKey is YCGTWGHHVZQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-5-13-8-7(2)6-11-9(10-3)12-8/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine?
N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).