4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine

C13H17N5S — CID 171993129

IUPAC4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCc1ccnc(NC2CCN(c3ncc(C)s3)C2)n1
InChIInChI=1S/C13H17N5S/c1-9-3-5-14-12(16-9)17-11-4-6-18(8-11)13-15-7-10(2)19-13/h3,5,7,11H,4,6,8H2,1-2H3,(H,14,16,17)
InChIKeyXQXZSUITIWHPLT-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.24
Rot. Bonds3

About 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine

4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 171993129) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID171993129
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCc1ccnc(NC2CCN(c3ncc(C)s3)C2)n1
InChIInChI=1S/C13H17N5S/c1-9-3-5-14-12(16-9)17-11-4-6-18(8-11)13-15-7-10(2)19-13/h3,5,7,11H,4,6,8H2,1-2H3,(H,14,16,17)
InChIKeyXQXZSUITIWHPLT-UHFFFAOYSA-N
XLogP2.24
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]pyrimidin-4-amine
CID 171993151
5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole
CID 126995565
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133304646
N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 172881651
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133325736
N-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891915
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole
CID 171702160

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine (CID 171993129) is 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine is Cc1ccnc(NC2CCN(c3ncc(C)s3)C2)n1.
What is the InChIKey of 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is XQXZSUITIWHPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-9-3-5-14-12(16-9)17-11-4-6-18(8-11)13-15-7-10(2)19-13/h3,5,7,11H,4,6,8H2,1-2H3,(H,14,16,17).
What are the key properties of 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine?
4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171993129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).