6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine

C22H27N7 — CID 133358047

IUPAC6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N2CCC(Nc3cc(CC)nc(-c4ccncc4)n3)CC2)ncn1
InChIInChI=1S/C22H27N7/c1-3-17-14-21(25-15-24-17)29-11-7-19(8-12-29)26-20-13-18(4-2)27-22(28-20)16-5-9-23-10-6-16/h5-6,9-10,13-15,19H,3-4,7-8,11-12H2,1-2H3,(H,26,27,28)
InChIKeyLPCRWUXFSTZHKA-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.53
Rot. Bonds6

About 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine

6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133358047) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133358047
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N2CCC(Nc3cc(CC)nc(-c4ccncc4)n3)CC2)ncn1
InChIInChI=1S/C22H27N7/c1-3-17-14-21(25-15-24-17)29-11-7-19(8-12-29)26-20-13-18(4-2)27-22(28-20)16-5-9-23-10-6-16/h5-6,9-10,13-15,19H,3-4,7-8,11-12H2,1-2H3,(H,26,27,28)
InChIKeyLPCRWUXFSTZHKA-UHFFFAOYSA-N
XLogP3.53
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133294350
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
CID 133343829
6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133330010
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 146128905
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine
CID 167824861
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133294994
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine (CID 133358047) is 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(N2CCC(Nc3cc(CC)nc(-c4ccncc4)n3)CC2)ncn1.
What is the InChIKey of 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is LPCRWUXFSTZHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-3-17-14-21(25-15-24-17)29-11-7-19(8-12-29)26-20-13-18(4-2)27-22(28-20)16-5-9-23-10-6-16/h5-6,9-10,13-15,19H,3-4,7-8,11-12H2,1-2H3,(H,26,27,28).
What are the key properties of 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine?
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 389.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133358047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).