N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine

C18H18N4 — CID 133324203

IUPACN-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NCCC3CC3)c3ccccc3n2)c1
InChIInChI=1S/C18H18N4/c1-2-6-16-15(5-1)18(20-11-9-13-7-8-13)22-17(21-16)14-4-3-10-19-12-14/h1-6,10,12-13H,7-9,11H2,(H,20,21,22)
InChIKeyUOVCJOYCIDWWKV-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.90
Rot. Bonds5

About N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine

N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 133324203) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID133324203
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NCCC3CC3)c3ccccc3n2)c1
InChIInChI=1S/C18H18N4/c1-2-6-16-15(5-1)18(20-11-9-13-7-8-13)22-17(21-16)14-4-3-10-19-12-14/h1-6,10,12-13H,7-9,11H2,(H,20,21,22)
InChIKeyUOVCJOYCIDWWKV-UHFFFAOYSA-N
XLogP3.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133344251
N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 7999462
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine
CID 133312926
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2545874
N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
CID 155902513

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine (CID 133324203) is N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine is c1cncc(-c2nc(NCCC3CC3)c3ccccc3n2)c1.
What is the InChIKey of N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is UOVCJOYCIDWWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-6-16-15(5-1)18(20-11-9-13-7-8-13)22-17(21-16)14-4-3-10-19-12-14/h1-6,10,12-13H,7-9,11H2,(H,20,21,22).
What are the key properties of N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 133324203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).