N-(2-methylsulfinylpropyl)pyrimidin-2-amine

C8H13N3OS — CID 115764312

IUPACN-(2-methylsulfinylpropyl)pyrimidin-2-amine
SMILESCC(CNc1ncccn1)S(C)=O
InChIInChI=1S/C8H13N3OS/c1-7(13(2)12)6-11-8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3,(H,9,10,11)
InChIKeyOTHCQJXHPUKRSZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.66
Rot. Bonds4

About N-(2-methylsulfinylpropyl)pyrimidin-2-amine

N-(2-methylsulfinylpropyl)pyrimidin-2-amine (PubChem CID 115764312) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(2-methylsulfinylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylpropyl)pyrimidin-2-amine
PubChem CID115764312
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-(2-methylsulfinylpropyl)pyrimidin-2-amine
SMILESCC(CNc1ncccn1)S(C)=O
InChIInChI=1S/C8H13N3OS/c1-7(13(2)12)6-11-8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3,(H,9,10,11)
InChIKeyOTHCQJXHPUKRSZ-UHFFFAOYSA-N
XLogP0.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylsulfinylpropylamino)pyrimidine-4-carboxylic acid
CID 107554398
N-(2-methylsulfinylpropyl)pyridazin-3-amine
CID 115764208
5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine
CID 103846782
2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763694
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
N-(2-cyclopropylpropyl)pyrimidin-2-amine
CID 115591492
5-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539648
3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
CID 115764306
5-bromo-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764259
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
CID 115715718
2-[(pyrimidin-2-ylamino)methyl]butanoic acid
CID 65226732

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylpropyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methylsulfinylpropyl)pyrimidin-2-amine (CID 115764312) is N-(2-methylsulfinylpropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylsulfinylpropyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methylsulfinylpropyl)pyrimidin-2-amine is CC(CNc1ncccn1)S(C)=O.
What is the InChIKey of N-(2-methylsulfinylpropyl)pyrimidin-2-amine?
The InChIKey is OTHCQJXHPUKRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-7(13(2)12)6-11-8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3,(H,9,10,11).
What are the key properties of N-(2-methylsulfinylpropyl)pyrimidin-2-amine?
N-(2-methylsulfinylpropyl)pyrimidin-2-amine has a molecular weight of 199.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 115764312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).