N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine

C24H30N6O — CID 130428592

IUPACN-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
SMILESCCOc1ccccc1CCNc1cc(-c2ccc(N3CCN(C)CC3)nc2)ncn1
InChIInChI=1S/C24H30N6O/c1-3-31-22-7-5-4-6-19(22)10-11-25-23-16-21(27-18-28-23)20-8-9-24(26-17-20)30-14-12-29(2)13-15-30/h4-9,16-18H,3,10-15H2,1-2H3,(H,25,27,28)
InChIKeyFQWUCGXABBOINQ-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.34
Rot. Bonds8

About N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine

N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 130428592) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID130428592
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
SMILESCCOc1ccccc1CCNc1cc(-c2ccc(N3CCN(C)CC3)nc2)ncn1
InChIInChI=1S/C24H30N6O/c1-3-31-22-7-5-4-6-19(22)10-11-25-23-16-21(27-18-28-23)20-8-9-24(26-17-20)30-14-12-29(2)13-15-30/h4-9,16-18H,3,10-15H2,1-2H3,(H,25,27,28)
InChIKeyFQWUCGXABBOINQ-UHFFFAOYSA-N
XLogP3.34
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 73213502
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[2-[2-(oxetan-3-yloxy)phenyl]propyl]pyrimidin-4-amine
CID 73213506
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
N-[(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;sulfane
CID 159776657
2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543723
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
CID 73214502
N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126431410
N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine
CID 155415224
N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
CID 73214354
N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 133288903
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine (CID 130428592) is N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine is CCOc1ccccc1CCNc1cc(-c2ccc(N3CCN(C)CC3)nc2)ncn1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is FQWUCGXABBOINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-3-31-22-7-5-4-6-19(22)10-11-25-23-16-21(27-18-28-23)20-8-9-24(26-17-20)30-14-12-29(2)13-15-30/h4-9,16-18H,3,10-15H2,1-2H3,(H,25,27,28).
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 418.55 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 130428592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).