1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

C22H32N6O — CID 45224910

IUPAC1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCCc1ncc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)cn1
InChIInChI=1S/C22H32N6O/c1-4-20-24-12-15(13-25-20)11-23-18-9-22(2,3)10-19-17(18)14-26-21(27-19)28-7-5-16(29)6-8-28/h12-14,16,18,23,29H,4-11H2,1-3H3
InChIKeyREIOUHGJYQWMGJ-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.59
Rot. Bonds5

About 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45224910) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
PubChem CID45224910
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCCc1ncc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)cn1
InChIInChI=1S/C22H32N6O/c1-4-20-24-12-15(13-25-20)11-23-18-9-22(2,3)10-19-17(18)14-26-21(27-19)28-7-5-16(29)6-8-28/h12-14,16,18,23,29H,4-11H2,1-3H3
InChIKeyREIOUHGJYQWMGJ-UHFFFAOYSA-N
XLogP2.59
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol 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
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 42154866
1-[(5S)-7,7-dimethyl-5-(pyridin-3-ylmethylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 42291221
1-{5-[(3-Fluorobenzyl)amino]-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinol
CID 45230764
[1-(5-Amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
CID 70778972
(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 94133507
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
1-[(5S)-5-[(6-methoxypyrimidin-4-yl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 97134698
4-N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 97138193
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45224910) is 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is CCc1ncc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)cn1.
What is the InChIKey of 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The InChIKey is REIOUHGJYQWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-4-20-24-12-15(13-25-20)11-23-18-9-22(2,3)10-19-17(18)14-26-21(27-19)28-7-5-16(29)6-8-28/h12-14,16,18,23,29H,4-11H2,1-3H3.
What are the key properties of 1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 396.54 g/mol, XLogP of 2.59, 5 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]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45224910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).