2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine

C22H34N6 — CID 66904247

IUPAC2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
SMILESc1ccc2c(NCCN3CCCCC3)nc(NCCN3CCCCC3)nc2c1
InChIInChI=1S/C22H34N6/c1-5-13-27(14-6-1)17-11-23-21-19-9-3-4-10-20(19)25-22(26-21)24-12-18-28-15-7-2-8-16-28/h3-4,9-10H,1-2,5-8,11-18H2,(H2,23,24,25,26)
InChIKeyNACABLJJLGCEAZ-UHFFFAOYSA-N
MW382.56 g/mol
LogP3.43
Rot. Bonds8

About 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine

2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine (PubChem CID 66904247) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
PubChem CID66904247
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
SMILESc1ccc2c(NCCN3CCCCC3)nc(NCCN3CCCCC3)nc2c1
InChIInChI=1S/C22H34N6/c1-5-13-27(14-6-1)17-11-23-21-19-9-3-4-10-20(19)25-22(26-21)24-12-18-28-15-7-2-8-16-28/h3-4,9-10H,1-2,5-8,11-18H2,(H2,23,24,25,26)
InChIKeyNACABLJJLGCEAZ-UHFFFAOYSA-N
XLogP3.43
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
CID 139925370
2-N-(4-methylsulfanylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine
CID 12703230
4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine
CID 66903127
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
CID 12703339
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820994
4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine
CID 133280943
2-N-[2-(3,4-difluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820921

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine (CID 66904247) is 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine is c1ccc2c(NCCN3CCCCC3)nc(NCCN3CCCCC3)nc2c1.
What is the InChIKey of 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine?
The InChIKey is NACABLJJLGCEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-5-13-27(14-6-1)17-11-23-21-19-9-3-4-10-20(19)25-22(26-21)24-12-18-28-15-7-2-8-16-28/h3-4,9-10H,1-2,5-8,11-18H2,(H2,23,24,25,26).
What are the key properties of 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine?
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine has a molecular weight of 382.56 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 66904247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).