(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine

C13H16N4 — CID 68905950

IUPAC(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
SMILESNCc1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C13H16N4/c14-9-12-15-11-6-2-1-5-10(11)13(16-12)17-7-3-4-8-17/h1-2,5-6H,3-4,7-9,14H2
InChIKeyBCUYMXFHXJJUFD-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.69
Rot. Bonds2

About (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine

(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine (PubChem CID 68905950) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
PubChem CID68905950
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
SMILESNCc1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C13H16N4/c14-9-12-15-11-6-2-1-5-10(11)13(16-12)17-7-3-4-8-17/h1-2,5-6H,3-4,7-9,14H2
InChIKeyBCUYMXFHXJJUFD-UHFFFAOYSA-N
XLogP1.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
CID 23086358
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
CID 50947927
N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine
CID 174050834
4-(azepan-1-yl)-2-(4-tert-butylphenyl)quinazoline
CID 23852302
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol
CID 50967083
4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine?
The IUPAC name of (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine (CID 68905950) is (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine.
What is the SMILES notation for (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine?
The canonical SMILES for (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine is NCc1nc(N2CCCC2)c2ccccc2n1.
What is the InChIKey of (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine?
The InChIKey is BCUYMXFHXJJUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-9-12-15-11-6-2-1-5-10(11)13(16-12)17-7-3-4-8-17/h1-2,5-6H,3-4,7-9,14H2.
What are the key properties of (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine?
(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylquinazolin-2-yl)methanamine is sourced from PubChem (CID 68905950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).