N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C17H18N6S — CID 124954569

IUPACN-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESc1cnc(Nc2cc([C@H]3CCCN3Cc3cscn3)ccn2)nc1
InChIInChI=1S/C17H18N6S/c1-3-15(23(8-1)10-14-11-24-12-21-14)13-4-7-18-16(9-13)22-17-19-5-2-6-20-17/h2,4-7,9,11-12,15H,1,3,8,10H2,(H,18,19,20,22)/t15-/m1/s1
InChIKeyFDPCPAFYPNCZGT-OAHLLOKOSA-N
MW338.44 g/mol
LogP3.41
Rot. Bonds5

About N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 124954569) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID124954569
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC NameN-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESc1cnc(Nc2cc([C@H]3CCCN3Cc3cscn3)ccn2)nc1
InChIInChI=1S/C17H18N6S/c1-3-15(23(8-1)10-14-11-24-12-21-14)13-4-7-18-16(9-13)22-17-19-5-2-6-20-17/h2,4-7,9,11-12,15H,1,3,8,10H2,(H,18,19,20,22)/t15-/m1/s1
InChIKeyFDPCPAFYPNCZGT-OAHLLOKOSA-N
XLogP3.41
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 124957204
6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 110111594
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110259040
N-methyl-4-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridin-2-amine
CID 124964991
N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 124948743
N-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110097759
N-[4-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 124946261
N-[4-[(2S)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 124946260
N-[4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 125004240
N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111622
4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126787336

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 124954569) is N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is c1cnc(Nc2cc([C@H]3CCCN3Cc3cscn3)ccn2)nc1.
What is the InChIKey of N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is FDPCPAFYPNCZGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N6S/c1-3-15(23(8-1)10-14-11-24-12-21-14)13-4-7-18-16(9-13)22-17-19-5-2-6-20-17/h2,4-7,9,11-12,15H,1,3,8,10H2,(H,18,19,20,22)/t15-/m1/s1.
What are the key properties of N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 338.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 124954569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).