N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C14H22N4 — CID 114695362

IUPACN-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC1NCCCC1Nc1ncnc2c1CCCC2
InChIInChI=1S/C14H22N4/c1-10-12(7-4-8-15-10)18-14-11-5-2-3-6-13(11)16-9-17-14/h9-10,12,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyGRDXWGVCHSKDDD-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.91
Rot. Bonds2

About N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 114695362) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID114695362
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC1NCCCC1Nc1ncnc2c1CCCC2
InChIInChI=1S/C14H22N4/c1-10-12(7-4-8-15-10)18-14-11-5-2-3-6-13(11)16-9-17-14/h9-10,12,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyGRDXWGVCHSKDDD-UHFFFAOYSA-N
XLogP1.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82729364
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65029507
N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113239948
6-methoxy-5-methyl-N-(2-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114695492
N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103889241
N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80714080
N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114632152
N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine
CID 114695488
N-[(3-methyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114700770
5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine
CID 114695529
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate
CID 71857671

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 114695362) is N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CC1NCCCC1Nc1ncnc2c1CCCC2.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is GRDXWGVCHSKDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-12(7-4-8-15-10)18-14-11-5-2-3-6-13(11)16-9-17-14/h9-10,12,15H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 114695362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).