(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one

C14H18N4OS — CID 95578449

IUPAC(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one
SMILESC[C@H](Nc1ncnc2ccsc12)C(=O)N1CCCCC1
InChIInChI=1S/C14H18N4OS/c1-10(14(19)18-6-3-2-4-7-18)17-13-12-11(5-8-20-12)15-9-16-13/h5,8-10H,2-4,6-7H2,1H3,(H,15,16,17)/t10-/m0/s1
InChIKeyBYZPZNHFKGQVPG-JTQLQIEISA-N
MW290.39 g/mol
LogP2.50
Rot. Bonds3

About (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one

(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one (PubChem CID 95578449) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one
PubChem CID95578449
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one
SMILESC[C@H](Nc1ncnc2ccsc12)C(=O)N1CCCCC1
InChIInChI=1S/C14H18N4OS/c1-10(14(19)18-6-3-2-4-7-18)17-13-12-11(5-8-20-12)15-9-16-13/h5,8-10H,2-4,6-7H2,1H3,(H,15,16,17)/t10-/m0/s1
InChIKeyBYZPZNHFKGQVPG-JTQLQIEISA-N
XLogP2.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one with MolForge

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Related Compounds

1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115574255
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112551708
(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one
CID 178126580
2-(furo[3,2-c]pyridin-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103911659
N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 103578173
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
(2R)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-one
CID 40797422
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231

Frequently Asked Questions

What is the IUPAC name of (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one?
The IUPAC name of (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one (CID 95578449) is (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one.
What is the SMILES notation for (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one?
The canonical SMILES for (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one is C[C@H](Nc1ncnc2ccsc12)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one?
The InChIKey is BYZPZNHFKGQVPG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10(14(19)18-6-3-2-4-7-18)17-13-12-11(5-8-20-12)15-9-16-13/h5,8-10H,2-4,6-7H2,1H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one?
(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one has a molecular weight of 290.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one is sourced from PubChem (CID 95578449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).