N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine

C16H20N4 — CID 62591283

IUPACN-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
SMILESc1ccc2c(N3CCCC3CNC3CC3)ncnc2c1
InChIInChI=1S/C16H20N4/c1-2-6-15-14(5-1)16(19-11-18-15)20-9-3-4-13(20)10-17-12-7-8-12/h1-2,5-6,11-13,17H,3-4,7-10H2
InChIKeyBHKCDPRHYUNWDX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.35
Rot. Bonds4

About N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine

N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine (PubChem CID 62591283) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
PubChem CID62591283
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
SMILESc1ccc2c(N3CCCC3CNC3CC3)ncnc2c1
InChIInChI=1S/C16H20N4/c1-2-6-15-14(5-1)16(19-11-18-15)20-9-3-4-13(20)10-17-12-7-8-12/h1-2,5-6,11-13,17H,3-4,7-10H2
InChIKeyBHKCDPRHYUNWDX-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine (CID 62591283) is N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine is c1ccc2c(N3CCCC3CNC3CC3)ncnc2c1.
What is the InChIKey of N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine?
The InChIKey is BHKCDPRHYUNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-6-15-14(5-1)16(19-11-18-15)20-9-3-4-13(20)10-17-12-7-8-12/h1-2,5-6,11-13,17H,3-4,7-10H2.
What are the key properties of N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine?
N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62591283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).