4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline

C16H25N3 — CID 133460728

IUPAC4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCCC(C)(C)C3)n1)CCCC2
InChIInChI=1S/C16H25N3/c1-12-17-14-8-5-4-7-13(14)15(18-12)19-10-6-9-16(2,3)11-19/h4-11H2,1-3H3
InChIKeyGOCPRLFCHUIBQY-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.29
Rot. Bonds1

About 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline

4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 133460728) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
PubChem CID133460728
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCCC(C)(C)C3)n1)CCCC2
InChIInChI=1S/C16H25N3/c1-12-17-14-8-5-4-7-13(14)15(18-12)19-10-6-9-16(2,3)11-19/h4-11H2,1-3H3
InChIKeyGOCPRLFCHUIBQY-UHFFFAOYSA-N
XLogP3.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine
CID 133461802
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
(3S)-3-(3-methoxypropyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 97157036
7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133472363
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132
4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile
CID 112755133
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 133461092

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline (CID 133460728) is 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline is Cc1nc2c(c(N3CCCC(C)(C)C3)n1)CCCC2.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GOCPRLFCHUIBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-17-14-8-5-4-7-13(14)15(18-12)19-10-6-9-16(2,3)11-19/h4-11H2,1-3H3.
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline?
4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 259.40 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133460728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).