2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide

C19H20FN5O2S — CID 166978519

IUPAC2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1nc(C(=O)NC2CC[C@H](O)C2)c2sccc2n1)c1cncc(F)c1
InChIInChI=1S/C19H20FN5O2S/c1-10(11-6-12(20)9-21-8-11)22-19-24-15-4-5-28-17(15)16(25-19)18(27)23-13-2-3-14(26)7-13/h4-6,8-10,13-14,26H,2-3,7H2,1H3,(H,23,27)(H,22,24,25)/t10-,13?,14-/m0/s1
InChIKeyVRKIEBJBCCLPLB-LZRTYROISA-N
MW401.47 g/mol
LogP3.04
Rot. Bonds5

About 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide

2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 166978519) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID166978519
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC Name2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1nc(C(=O)NC2CC[C@H](O)C2)c2sccc2n1)c1cncc(F)c1
InChIInChI=1S/C19H20FN5O2S/c1-10(11-6-12(20)9-21-8-11)22-19-24-15-4-5-28-17(15)16(25-19)18(27)23-13-2-3-14(26)7-13/h4-6,8-10,13-14,26H,2-3,7H2,1H3,(H,23,27)(H,22,24,25)/t10-,13?,14-/m0/s1
InChIKeyVRKIEBJBCCLPLB-LZRTYROISA-N
XLogP3.04
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540416
(3-aminoazetidin-1-yl)-[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
CID 142540525
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(3-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 150785059
ethane;N-ethyl-1-[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 142540365
1-[3-[[[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-hydroxymethyl]amino]azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 166978561
tert-butyl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate
CID 163439421
1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-4-(4-methoxyphenyl)butan-1-one
CID 163527016
ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540108
2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide
CID 163408066
1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-4-(3-phenoxyphenyl)butan-1-one
CID 163929948
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
CID 150817428
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 142540099

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide (CID 166978519) is 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide is C[C@H](Nc1nc(C(=O)NC2CC[C@H](O)C2)c2sccc2n1)c1cncc(F)c1.
What is the InChIKey of 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is VRKIEBJBCCLPLB-LZRTYROISA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-10(11-6-12(20)9-21-8-11)22-19-24-15-4-5-28-17(15)16(25-19)18(27)23-13-2-3-14(26)7-13/h4-6,8-10,13-14,26H,2-3,7H2,1H3,(H,23,27)(H,22,24,25)/t10-,13?,14-/m0/s1.
What are the key properties of 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide?
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166978519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).