N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine

C22H22N8 — CID 112924004

IUPACN-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine
SMILESCc1cc(N2CCN(c3ncccn3)CC2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H22N8/c1-16-15-19(29-11-13-30(14-12-29)22-24-9-4-10-25-22)28-21(26-16)27-18-7-2-5-17-6-3-8-23-20(17)18/h2-10,15H,11-14H2,1H3,(H,26,27,28)
InChIKeyHMZWXAQGCOHUTD-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.19
Rot. Bonds4

About N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine

N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine (PubChem CID 112924004) has the molecular formula C22H22N8 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine
PubChem CID112924004
Molecular FormulaC22H22N8
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC NameN-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine
SMILESCc1cc(N2CCN(c3ncccn3)CC2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H22N8/c1-16-15-19(29-11-13-30(14-12-29)22-24-9-4-10-25-22)28-21(26-16)27-18-7-2-5-17-6-3-8-23-20(17)18/h2-10,15H,11-14H2,1H3,(H,26,27,28)
InChIKeyHMZWXAQGCOHUTD-UHFFFAOYSA-N
XLogP3.19
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethylphenyl)-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923972
N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112932074
4-methyl-N-[(3-methylphenyl)methyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112916237
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112924003
4-methyl-N-(1-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112916788
N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)quinolin-8-amine
CID 112912374
6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931777
N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923847
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088
(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone
CID 109323235
N-(2-chlorophenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913869
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine?
The IUPAC name of N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine (CID 112924004) is N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine.
What is the SMILES notation for N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine?
The canonical SMILES for N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine is Cc1cc(N2CCN(c3ncccn3)CC2)nc(Nc2cccc3cccnc23)n1.
What is the InChIKey of N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine?
The InChIKey is HMZWXAQGCOHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8/c1-16-15-19(29-11-13-30(14-12-29)22-24-9-4-10-25-22)28-21(26-16)27-18-7-2-5-17-6-3-8-23-20(17)18/h2-10,15H,11-14H2,1H3,(H,26,27,28).
What are the key properties of N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine?
N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine has a molecular weight of 398.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine is sourced from PubChem (CID 112924004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).