4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine

C16H23N5 — CID 64588487

IUPAC4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
SMILESCC1CCN(CCNc2ncnc3ccc(N)cc23)CC1
InChIInChI=1S/C16H23N5/c1-12-4-7-21(8-5-12)9-6-18-16-14-10-13(17)2-3-15(14)19-11-20-16/h2-3,10-12H,4-9,17H2,1H3,(H,18,19,20)
InChIKeyRCZPPAFOPXWOMK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.36
Rot. Bonds4

About 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine

4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine (PubChem CID 64588487) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
PubChem CID64588487
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
SMILESCC1CCN(CCNc2ncnc3ccc(N)cc23)CC1
InChIInChI=1S/C16H23N5/c1-12-4-7-21(8-5-12)9-6-18-16-14-10-13(17)2-3-15(14)19-11-20-16/h2-3,10-12H,4-9,17H2,1H3,(H,18,19,20)
InChIKeyRCZPPAFOPXWOMK-UHFFFAOYSA-N
XLogP2.36
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790
4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
CID 65337256
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
6-chloro-4-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-4,5-diamine
CID 63024118
6-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409514
4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine
CID 64590087
2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine
CID 61240847
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
CID 103004388
5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol
CID 142890139
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
CID 113467100

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine (CID 64588487) is 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine is CC1CCN(CCNc2ncnc3ccc(N)cc23)CC1.
What is the InChIKey of 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine?
The InChIKey is RCZPPAFOPXWOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-4-7-21(8-5-12)9-6-18-16-14-10-13(17)2-3-15(14)19-11-20-16/h2-3,10-12H,4-9,17H2,1H3,(H,18,19,20).
What are the key properties of 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 64588487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).