2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine

C16H23N5 — CID 50980759

IUPAC2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine
SMILESCCc1ccc(CN(C)c2ncc(C)c(N(C)C)n2)nc1
InChIInChI=1S/C16H23N5/c1-6-13-7-8-14(17-10-13)11-21(5)16-18-9-12(2)15(19-16)20(3)4/h7-10H,6,11H2,1-5H3
InChIKeyXGUQWPBPWCOGDI-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.44
Rot. Bonds5

About 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine

2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine (PubChem CID 50980759) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine
PubChem CID50980759
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine
SMILESCCc1ccc(CN(C)c2ncc(C)c(N(C)C)n2)nc1
InChIInChI=1S/C16H23N5/c1-6-13-7-8-14(17-10-13)11-21(5)16-18-9-12(2)15(19-16)20(3)4/h7-10H,6,11H2,1-5H3
InChIKeyXGUQWPBPWCOGDI-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine (CID 50980759) is 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine is CCc1ccc(CN(C)c2ncc(C)c(N(C)C)n2)nc1.
What is the InChIKey of 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine?
The InChIKey is XGUQWPBPWCOGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-6-13-7-8-14(17-10-13)11-21(5)16-18-9-12(2)15(19-16)20(3)4/h7-10H,6,11H2,1-5H3.
What are the key properties of 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine?
2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine has a molecular weight of 285.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50980759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).