N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine

C17H22N4 — CID 106643652

IUPACN-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(N(CC3CCCNC3)C3CC3)ncnc2c1
InChIInChI=1S/C17H22N4/c1-2-6-16-15(5-1)17(20-12-19-16)21(14-7-8-14)11-13-4-3-9-18-10-13/h1-2,5-6,12-14,18H,3-4,7-11H2
InChIKeyXJHJGSPMFGGSAB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.60
Rot. Bonds4

About N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine

N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine (PubChem CID 106643652) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine
PubChem CID106643652
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(N(CC3CCCNC3)C3CC3)ncnc2c1
InChIInChI=1S/C17H22N4/c1-2-6-16-15(5-1)17(20-12-19-16)21(14-7-8-14)11-13-4-3-9-18-10-13/h1-2,5-6,12-14,18H,3-4,7-11H2
InChIKeyXJHJGSPMFGGSAB-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
CID 106640940
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
4-(piperidin-3-ylmethyl)quinazoline
CID 105484818
N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)imidazo[4,5-c]pyridin-4-amine
CID 106643721
N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643689
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164498
6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 106643837
N-(piperidin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 106644228
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
6-[cyclopropyl(piperidin-3-ylmethyl)amino]pyridazine-3-carboxamide
CID 106643858

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine (CID 106643652) is N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine is c1ccc2c(N(CC3CCCNC3)C3CC3)ncnc2c1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is XJHJGSPMFGGSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-6-16-15(5-1)17(20-12-19-16)21(14-7-8-14)11-13-4-3-9-18-10-13/h1-2,5-6,12-14,18H,3-4,7-11H2.
What are the key properties of N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine?
N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 106643652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).