[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine

C15H24N4 — CID 103442231

IUPAC[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
SMILESCC1CCN(c2ncnc3c2CCCC3)C(CN)C1
InChIInChI=1S/C15H24N4/c1-11-6-7-19(12(8-11)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h10-12H,2-9,16H2,1H3
InChIKeyMFTCGEQNUKNGME-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.92
Rot. Bonds2

About [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine

[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine (PubChem CID 103442231) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
PubChem CID103442231
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
SMILESCC1CCN(c2ncnc3c2CCCC3)C(CN)C1
InChIInChI=1S/C15H24N4/c1-11-6-7-19(12(8-11)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h10-12H,2-9,16H2,1H3
InChIKeyMFTCGEQNUKNGME-UHFFFAOYSA-N
XLogP1.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
CID 115963930
[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine
CID 114045745
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422339
4-[2-(bromomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80667841
(4-methyl-1-pyrimidin-2-ylpiperidin-2-yl)methanamine
CID 103442373
4-[2-(2-bromoethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80671545
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 62831697
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 62833346
N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62831889
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
N-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105223
(4-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)methanamine
CID 103442320

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine (CID 103442231) is [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine is CC1CCN(c2ncnc3c2CCCC3)C(CN)C1.
What is the InChIKey of [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine?
The InChIKey is MFTCGEQNUKNGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11-6-7-19(12(8-11)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h10-12H,2-9,16H2,1H3.
What are the key properties of [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine?
[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103442231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).