N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine

C16H22N4 — CID 115599555

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
SMILESCN1CCC(CCNc2ncnc3ccccc23)CC1
InChIInChI=1S/C16H22N4/c1-20-10-7-13(8-11-20)6-9-17-16-14-4-2-3-5-15(14)18-12-19-16/h2-5,12-13H,6-11H2,1H3,(H,17,18,19)
InChIKeyJUPDCYNHVYYNSQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine (PubChem CID 115599555) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
PubChem CID115599555
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
SMILESCN1CCC(CCNc2ncnc3ccccc23)CC1
InChIInChI=1S/C16H22N4/c1-20-10-7-13(8-11-20)6-9-17-16-14-4-2-3-5-15(14)18-12-19-16/h2-5,12-13H,6-11H2,1H3,(H,17,18,19)
InChIKeyJUPDCYNHVYYNSQ-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 115599545
6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 114516488
4-[(1-methylpiperidin-4-yl)methyl]quinazoline
CID 20709663
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894
5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 115714889
6-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114516456
3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
CID 114516461
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
CID 175723152
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine (CID 115599555) is N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine is CN1CCC(CCNc2ncnc3ccccc23)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine?
The InChIKey is JUPDCYNHVYYNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20-10-7-13(8-11-20)6-9-17-16-14-4-2-3-5-15(14)18-12-19-16/h2-5,12-13H,6-11H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 115599555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).