2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C17H25N7 — CID 171995725

IUPAC2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCc1cc(N2CCCC(Nc3nccc(N(C)C)n3)C2)ncn1
InChIInChI=1S/C17H25N7/c1-4-13-10-16(20-12-19-13)24-9-5-6-14(11-24)21-17-18-8-7-15(22-17)23(2)3/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,18,21,22)
InChIKeyBGZDRPCJNWIYEU-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.98
Rot. Bonds5

About 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 171995725) 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-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID171995725
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCc1cc(N2CCCC(Nc3nccc(N(C)C)n3)C2)ncn1
InChIInChI=1S/C17H25N7/c1-4-13-10-16(20-12-19-13)24-9-5-6-14(11-24)21-17-18-8-7-15(22-17)23(2)3/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,18,21,22)
InChIKeyBGZDRPCJNWIYEU-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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 171995725) is 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CCc1cc(N2CCCC(Nc3nccc(N(C)C)n3)C2)ncn1.
What is the InChIKey of 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is BGZDRPCJNWIYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-4-13-10-16(20-12-19-13)24-9-5-6-14(11-24)21-17-18-8-7-15(22-17)23(2)3/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,18,21,22).
What are the key properties of 2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-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-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 171995725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).