3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine

C16H27N5 — CID 82166131

IUPAC3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine
SMILESCc1nc(N2CCN(CCCN)CC2)nc2c1CCCC2
InChIInChI=1S/C16H27N5/c1-13-14-5-2-3-6-15(14)19-16(18-13)21-11-9-20(10-12-21)8-4-7-17/h2-12,17H2,1H3
InChIKeyMJNZNFGJPQBKIF-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.13
Rot. Bonds4

About 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine

3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 82166131) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID82166131
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine
SMILESCc1nc(N2CCN(CCCN)CC2)nc2c1CCCC2
InChIInChI=1S/C16H27N5/c1-13-14-5-2-3-6-15(14)19-16(18-13)21-11-9-20(10-12-21)8-4-7-17/h2-12,17H2,1H3
InChIKeyMJNZNFGJPQBKIF-UHFFFAOYSA-N
XLogP1.13
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-ethoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 115973287
(1R,3S)-3-(2-aminoethoxy)-7-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-7-azaspiro[3.5]nonan-1-ol;dihydrochloride
CID 154925026
[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine
CID 28908587
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 46973139
3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 55113725
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 115974288
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10786275
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 164690274
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 65169838

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine (CID 82166131) is 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine is Cc1nc(N2CCN(CCCN)CC2)nc2c1CCCC2.
What is the InChIKey of 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is MJNZNFGJPQBKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-13-14-5-2-3-6-15(14)19-16(18-13)21-11-9-20(10-12-21)8-4-7-17/h2-12,17H2,1H3.
What are the key properties of 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine?
3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82166131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).