N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine

C11H17N3OS — CID 163578549

IUPACN-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine
SMILESCc1cnc(S(C)=O)nc1NC1CCCC1
InChIInChI=1S/C11H17N3OS/c1-8-7-12-11(16(2)15)14-10(8)13-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyGFPINHBBRCKBRG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.88
Rot. Bonds3

About N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine

N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine (PubChem CID 163578549) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine
PubChem CID163578549
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine
SMILESCc1cnc(S(C)=O)nc1NC1CCCC1
InChIInChI=1S/C11H17N3OS/c1-8-7-12-11(16(2)15)14-10(8)13-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyGFPINHBBRCKBRG-UHFFFAOYSA-N
XLogP1.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
ethyl (E)-3-[4-(cyclopentylamino)-2-methylsulfinylpyrimidin-5-yl]prop-2-enoate
CID 90456676
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 141129534
N-cycloheptyl-3,6-dimethylpyrazin-2-amine
CID 60631763
4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80837383
4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 142188527
N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80898941
N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123860861
4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine
CID 68976534
8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 11483180
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 123184963

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine (CID 163578549) is N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine is Cc1cnc(S(C)=O)nc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine?
The InChIKey is GFPINHBBRCKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-12-11(16(2)15)14-10(8)13-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine?
N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine has a molecular weight of 239.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-2-methylsulfinylpyrimidin-4-amine is sourced from PubChem (CID 163578549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).