[1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

C21H30N6O — CID 45204656

IUPAC[1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCCc1ncc(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)cn1
InChIInChI=1S/C21H30N6O/c1-2-20-23-11-16(12-24-20)10-22-18-4-3-5-19-17(18)13-25-21(26-19)27-8-6-15(14-28)7-9-27/h11-13,15,18,22,28H,2-10,14H2,1H3
InChIKeyVULUDFRUWUOLOI-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.20
Rot. Bonds6

About [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

[1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 45204656) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID45204656
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name[1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCCc1ncc(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)cn1
InChIInChI=1S/C21H30N6O/c1-2-20-23-11-16(12-24-20)10-22-18-4-3-5-19-17(18)13-25-21(26-19)27-8-6-15(14-28)7-9-27/h11-13,15,18,22,28H,2-10,14H2,1H3
InChIKeyVULUDFRUWUOLOI-UHFFFAOYSA-N
XLogP2.20
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25283348
(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25446996
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
4,4,4-trifluoro-N-{2-[4-(hydroxymethyl)-1-piperidinyl]-5,6,7,8-tetrahydro-5-quinazolinyl}butanamide
CID 45220295
(1-{5-[(3-Fluorobenzyl)amino]-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinyl)methanol
CID 45231851
[1-(5-Amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
CID 70778972
2-N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 97123918
(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 97132416
1-[(5S)-5-[(6-cyclopropylpyrimidin-4-yl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 97138939
1-[(5S)-5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 97143924
2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 158406758
Sdccgsbi-0114594.P001
CID 45227731

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 45204656) is [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is CCc1ncc(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)cn1.
What is the InChIKey of [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is VULUDFRUWUOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-2-20-23-11-16(12-24-20)10-22-18-4-3-5-19-17(18)13-25-21(26-19)27-8-6-15(14-28)7-9-27/h11-13,15,18,22,28H,2-10,14H2,1H3.
What are the key properties of [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol has a molecular weight of 382.51 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45204656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).