2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C17H25N7 — CID 146128905

IUPAC2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCc1cc(N2CCC(Nc3nccc(N(C)C)n3)CC2)ncn1
InChIInChI=1S/C17H25N7/c1-4-13-11-16(20-12-19-13)24-9-6-14(7-10-24)21-17-18-8-5-15(22-17)23(2)3/h5,8,11-12,14H,4,6-7,9-10H2,1-3H3,(H,18,21,22)
InChIKeyBDSMBQKEYOGLFG-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.98
Rot. Bonds5

About 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 146128905) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID146128905
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCc1cc(N2CCC(Nc3nccc(N(C)C)n3)CC2)ncn1
InChIInChI=1S/C17H25N7/c1-4-13-11-16(20-12-19-13)24-9-6-14(7-10-24)21-17-18-8-5-15(22-17)23(2)3/h5,8,11-12,14H,4,6-7,9-10H2,1-3H3,(H,18,21,22)
InChIKeyBDSMBQKEYOGLFG-UHFFFAOYSA-N
XLogP1.98
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 146079492
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
CID 133343829
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133358064
2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133383721
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine
CID 167824861
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 146128905) is 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CCc1cc(N2CCC(Nc3nccc(N(C)C)n3)CC2)ncn1.
What is the InChIKey of 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is BDSMBQKEYOGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-4-13-11-16(20-12-19-13)24-9-6-14(7-10-24)21-17-18-8-5-15(22-17)23(2)3/h5,8,11-12,14H,4,6-7,9-10H2,1-3H3,(H,18,21,22).
What are the key properties of 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 327.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 146128905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).