1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine

C19H23N5 — CID 133276695

IUPAC1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine
SMILESCC(CCN(C)C)Nc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C19H23N5/c1-14(10-13-24(2)3)21-19-16-6-4-5-7-17(16)22-18(23-19)15-8-11-20-12-9-15/h4-9,11-12,14H,10,13H2,1-3H3,(H,21,22,23)
InChIKeyUCSDXMYGVUVFQU-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.44
Rot. Bonds6

About 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine (PubChem CID 133276695) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine
PubChem CID133276695
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine
SMILESCC(CCN(C)C)Nc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C19H23N5/c1-14(10-13-24(2)3)21-19-16-6-4-5-7-17(16)22-18(23-19)15-8-11-20-12-9-15/h4-9,11-12,14H,10,13H2,1-3H3,(H,21,22,23)
InChIKeyUCSDXMYGVUVFQU-UHFFFAOYSA-N
XLogP3.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
1-N,1-N-diethyl-4-N-(2-phenylquinazolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 131880768
3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
CID 102984132
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine
CID 55941683
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 92725678
1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
CID 55173421
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine (CID 133276695) is 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine is CC(CCN(C)C)Nc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine?
The InChIKey is UCSDXMYGVUVFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14(10-13-24(2)3)21-19-16-6-4-5-7-17(16)22-18(23-19)15-8-11-20-12-9-15/h4-9,11-12,14H,10,13H2,1-3H3,(H,21,22,23).
What are the key properties of 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine has a molecular weight of 321.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine is sourced from PubChem (CID 133276695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).