N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine

C21H25N5 — CID 133288141

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCN1CCC(CN(C)c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C21H25N5/c1-25-12-9-16(10-13-25)15-26(2)21-18-7-3-4-8-19(18)23-20(24-21)17-6-5-11-22-14-17/h3-8,11,14,16H,9-10,12-13,15H2,1-2H3
InChIKeyLYJUYMZKSAFAEE-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.47
Rot. Bonds4

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 133288141) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID133288141
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCN1CCC(CN(C)c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C21H25N5/c1-25-12-9-16(10-13-25)15-26(2)21-18-7-3-4-8-19(18)23-20(24-21)17-6-5-11-22-14-17/h3-8,11,14,16H,9-10,12-13,15H2,1-2H3
InChIKeyLYJUYMZKSAFAEE-UHFFFAOYSA-N
XLogP3.47
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
CID 137469993
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050
3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile
CID 133344856
(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol
CID 166296812
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 142524925
N,N,N'-trimethyl-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
CID 56670000
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 30727958
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
CID 133395870

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 133288141) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine is CN1CCC(CN(C)c2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is LYJUYMZKSAFAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-25-12-9-16(10-13-25)15-26(2)21-18-7-3-4-8-19(18)23-20(24-21)17-6-5-11-22-14-17/h3-8,11,14,16H,9-10,12-13,15H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 133288141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).