2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

C17H22N6S — CID 172892095

IUPAC2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCSc1nccc(N2CCC(N(C)c3ccnc(C4CC4)n3)C2)n1
InChIInChI=1S/C17H22N6S/c1-22(14-5-8-18-16(20-14)12-3-4-12)13-7-10-23(11-13)15-6-9-19-17(21-15)24-2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3
InChIKeyJACYIDLXTJQVII-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172892095) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172892095
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCSc1nccc(N2CCC(N(C)c3ccnc(C4CC4)n3)C2)n1
InChIInChI=1S/C17H22N6S/c1-22(14-5-8-18-16(20-14)12-3-4-12)13-7-10-23(11-13)15-6-9-19-17(21-15)24-2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3
InChIKeyJACYIDLXTJQVII-UHFFFAOYSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172901438
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 155975756
1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129000168
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
4-bromo-2-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]benzonitrile
CID 172902299
2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172904420
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 172904106
2-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 172904596
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328377
4-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 172902269
N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 172904044
tert-butyl N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 71648616

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 172892095) is 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is CSc1nccc(N2CCC(N(C)c3ccnc(C4CC4)n3)C2)n1.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is JACYIDLXTJQVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-22(14-5-8-18-16(20-14)12-3-4-12)13-7-10-23(11-13)15-6-9-19-17(21-15)24-2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 342.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172892095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).