[1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine

C16H26N4 — CID 103278800

IUPAC[1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
SMILESCC1CCc2cnc(N3CCCC(CN)C3)nc2C1C
InChIInChI=1S/C16H26N4/c1-11-5-6-14-9-18-16(19-15(14)12(11)2)20-7-3-4-13(8-17)10-20/h9,11-13H,3-8,10,17H2,1-2H3
InChIKeyCSTXZQIMRIKYSA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.34
Rot. Bonds2

About [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine

[1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine (PubChem CID 103278800) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
PubChem CID103278800
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name[1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
SMILESCC1CCc2cnc(N3CCCC(CN)C3)nc2C1C
InChIInChI=1S/C16H26N4/c1-11-5-6-14-9-18-16(19-15(14)12(11)2)20-7-3-4-13(8-17)10-20/h9,11-13H,3-8,10,17H2,1-2H3
InChIKeyCSTXZQIMRIKYSA-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
CID 103278789
[1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278796
[1-(6-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
CID 103278777
[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278831
1-(8-ethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-amine
CID 103278409
[1-(5-ethyl-4-propylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278793
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278754
[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799843
[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 116976207
[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278804
[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine
CID 106552345

Frequently Asked Questions

What is the IUPAC name of [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine (CID 103278800) is [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine is CC1CCc2cnc(N3CCCC(CN)C3)nc2C1C.
What is the InChIKey of [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine?
The InChIKey is CSTXZQIMRIKYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11-5-6-14-9-18-16(19-15(14)12(11)2)20-7-3-4-13(8-17)10-20/h9,11-13H,3-8,10,17H2,1-2H3.
What are the key properties of [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine?
[1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 103278800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).