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

C19H28N6OS — CID 143792282

IUPAC2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1nc(N2CCC(c3cnc[nH]3)CC2)nc2c1SCC2
InChIInChI=1S/C19H28N6OS/c1-12(2)16(10-26)22-18-17-14(5-8-27-17)23-19(24-18)25-6-3-13(4-7-25)15-9-20-11-21-15/h9,11-13,16,26H,3-8,10H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyUKTBNAAIXHSOGJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.66
Rot. Bonds6

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

2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 143792282) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID143792282
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1nc(N2CCC(c3cnc[nH]3)CC2)nc2c1SCC2
InChIInChI=1S/C19H28N6OS/c1-12(2)16(10-26)22-18-17-14(5-8-27-17)23-19(24-18)25-6-3-13(4-7-25)15-9-20-11-21-15/h9,11-13,16,26H,3-8,10H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyUKTBNAAIXHSOGJ-UHFFFAOYSA-N
XLogP2.66
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 143792282) is 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1nc(N2CCC(c3cnc[nH]3)CC2)nc2c1SCC2.
What is the InChIKey of 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is UKTBNAAIXHSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-12(2)16(10-26)22-18-17-14(5-8-27-17)23-19(24-18)25-6-3-13(4-7-25)15-9-20-11-21-15/h9,11-13,16,26H,3-8,10H2,1-2H3,(H,20,21)(H,22,23,24).
What are the key properties of 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 388.54 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 143792282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).