N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine

C17H22N4 — CID 106640940

IUPACN-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(N(CC3CCCCN3)C3CC3)ncnc2c1
InChIInChI=1S/C17H22N4/c1-2-7-16-15(6-1)17(20-12-19-16)21(14-8-9-14)11-13-5-3-4-10-18-13/h1-2,6-7,12-14,18H,3-5,8-11H2
InChIKeyZOTCWFRVUPIOEY-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.74
Rot. Bonds4

About N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine

N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine (PubChem CID 106640940) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
PubChem CID106640940
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(N(CC3CCCCN3)C3CC3)ncnc2c1
InChIInChI=1S/C17H22N4/c1-2-7-16-15(6-1)17(20-12-19-16)21(14-8-9-14)11-13-5-3-4-10-18-13/h1-2,6-7,12-14,18H,3-5,8-11H2
InChIKeyZOTCWFRVUPIOEY-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine
CID 106643652
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106641159
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinoxalin-2-amine
CID 106641225
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 106641209
N-cyclopropyl-N-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 106641172
N-cyclopropyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 106600327
N-cyclopropyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641204
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106641188
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
CID 106600093
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
CID 102820335
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640995

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine (CID 106640940) is N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine is c1ccc2c(N(CC3CCCCN3)C3CC3)ncnc2c1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is ZOTCWFRVUPIOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-7-16-15(6-1)17(20-12-19-16)21(14-8-9-14)11-13-5-3-4-10-18-13/h1-2,6-7,12-14,18H,3-5,8-11H2.
What are the key properties of N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine?
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.74, 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-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 106640940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).