2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine

C14H19N5 — CID 62671549

IUPAC2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine
SMILESCC1CNCCN1Cc1nc(N)c2ccccc2n1
InChIInChI=1S/C14H19N5/c1-10-8-16-6-7-19(10)9-13-17-12-5-3-2-4-11(12)14(15)18-13/h2-5,10,16H,6-9H2,1H3,(H2,15,17,18)
InChIKeySDVDZTXFEIJXPZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.01
Rot. Bonds2

About 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine

2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine (PubChem CID 62671549) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine
PubChem CID62671549
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine
SMILESCC1CNCCN1Cc1nc(N)c2ccccc2n1
InChIInChI=1S/C14H19N5/c1-10-8-16-6-7-19(10)9-13-17-12-5-3-2-4-11(12)14(15)18-13/h2-5,10,16H,6-9H2,1H3,(H2,15,17,18)
InChIKeySDVDZTXFEIJXPZ-UHFFFAOYSA-N
XLogP1.01
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 124615429
2-[(2-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 55104966
2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine
CID 63250159
2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137078251
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine
CID 124741589
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine
CID 43607087
2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 94032734
1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole
CID 155756317
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine
CID 25352181

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine (CID 62671549) is 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine is CC1CNCCN1Cc1nc(N)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine?
The InChIKey is SDVDZTXFEIJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-8-16-6-7-19(10)9-13-17-12-5-3-2-4-11(12)14(15)18-13/h2-5,10,16H,6-9H2,1H3,(H2,15,17,18).
What are the key properties of 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine?
2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 62671549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).