N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine

C20H24N6 — CID 171729477

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine
SMILESCN1CCN(CCNc2nccc(-c3cnc4ccccc4c3)n2)CC1
InChIInChI=1S/C20H24N6/c1-25-10-12-26(13-11-25)9-8-22-20-21-7-6-19(24-20)17-14-16-4-2-3-5-18(16)23-15-17/h2-7,14-15H,8-13H2,1H3,(H,21,22,24)
InChIKeyURZFBUQHRCNZNK-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine (PubChem CID 171729477) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine
PubChem CID171729477
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine
SMILESCN1CCN(CCNc2nccc(-c3cnc4ccccc4c3)n2)CC1
InChIInChI=1S/C20H24N6/c1-25-10-12-26(13-11-25)9-8-22-20-21-7-6-19(24-20)17-14-16-4-2-3-5-18(16)23-15-17/h2-7,14-15H,8-13H2,1H3,(H,21,22,24)
InChIKeyURZFBUQHRCNZNK-UHFFFAOYSA-N
XLogP2.35
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082
4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine
CID 80938836
2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide
CID 59333088
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
CID 60734250
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine
CID 175494124
5-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 103745781
N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride
CID 44531630
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-quinolin-3-yltriazol-1-yl)ethanone
CID 167985003
4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 118741337

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine (CID 171729477) is N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine is CN1CCN(CCNc2nccc(-c3cnc4ccccc4c3)n2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine?
The InChIKey is URZFBUQHRCNZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-25-10-12-26(13-11-25)9-8-22-20-21-7-6-19(24-20)17-14-16-4-2-3-5-18(16)23-15-17/h2-7,14-15H,8-13H2,1H3,(H,21,22,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine?
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 171729477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).