2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide

C18H20N6OS — CID 163408066

IUPAC2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1nc(C(=O)NC2CCNC2)c2sccc2n1)c1ccccn1
InChIInChI=1S/C18H20N6OS/c1-11(13-4-2-3-7-20-13)21-18-23-14-6-9-26-16(14)15(24-18)17(25)22-12-5-8-19-10-12/h2-4,6-7,9,11-12,19H,5,8,10H2,1H3,(H,22,25)(H,21,23,24)/t11-,12?/m0/s1
InChIKeyMIPDHJNFMAOSGG-PXYINDEMSA-N
MW368.47 g/mol
LogP2.35
Rot. Bonds5

About 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide

2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 163408066) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID163408066
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1nc(C(=O)NC2CCNC2)c2sccc2n1)c1ccccn1
InChIInChI=1S/C18H20N6OS/c1-11(13-4-2-3-7-20-13)21-18-23-14-6-9-26-16(14)15(24-18)17(25)22-12-5-8-19-10-12/h2-4,6-7,9,11-12,19H,5,8,10H2,1H3,(H,22,25)(H,21,23,24)/t11-,12?/m0/s1
InChIKeyMIPDHJNFMAOSGG-PXYINDEMSA-N
XLogP2.35
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane
CID 142540394
molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540200
ethane;1-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 142540161
3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide
CID 119424565
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 166978519
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide (CID 163408066) is 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide is C[C@H](Nc1nc(C(=O)NC2CCNC2)c2sccc2n1)c1ccccn1.
What is the InChIKey of 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is MIPDHJNFMAOSGG-PXYINDEMSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11(13-4-2-3-7-20-13)21-18-23-14-6-9-26-16(14)15(24-18)17(25)22-12-5-8-19-10-12/h2-4,6-7,9,11-12,19H,5,8,10H2,1H3,(H,22,25)(H,21,23,24)/t11-,12?/m0/s1.
What are the key properties of 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide?
2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 163408066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).