[1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

C18H24N6O2S — CID 25267439

IUPAC[1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
SMILESO=S1CCc2nc(N3CCC(c4cnc[nH]4)CC3)nc(NC3(CO)CC3)c21
InChIInChI=1S/C18H24N6O2S/c25-10-18(4-5-18)23-16-15-13(3-8-27(15)26)21-17(22-16)24-6-1-12(2-7-24)14-9-19-11-20-14/h9,11-12,25H,1-8,10H2,(H,19,20)(H,21,22,23)
InChIKeyOVCCAXHFXORPTR-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.18
Rot. Bonds5

About [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

[1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (PubChem CID 25267439) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
PubChem CID25267439
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name[1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
SMILESO=S1CCc2nc(N3CCC(c4cnc[nH]4)CC3)nc(NC3(CO)CC3)c21
InChIInChI=1S/C18H24N6O2S/c25-10-18(4-5-18)23-16-15-13(3-8-27(15)26)21-17(22-16)24-6-1-12(2-7-24)14-9-19-11-20-14/h9,11-12,25H,1-8,10H2,(H,19,20)(H,21,22,23)
InChIKeyOVCCAXHFXORPTR-UHFFFAOYSA-N
XLogP1.18
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?
The IUPAC name of [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (CID 25267439) is [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is O=S1CCc2nc(N3CCC(c4cnc[nH]4)CC3)nc(NC3(CO)CC3)c21.
What is the InChIKey of [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?
The InChIKey is OVCCAXHFXORPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c25-10-18(4-5-18)23-16-15-13(3-8-27(15)26)21-17(22-16)24-6-1-12(2-7-24)14-9-19-11-20-14/h9,11-12,25H,1-8,10H2,(H,19,20)(H,21,22,23).
What are the key properties of [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?
[1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol has a molecular weight of 388.50 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is sourced from PubChem (CID 25267439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).