4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

C13H23N5 — CID 80820786

IUPAC4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCN1CCC(N(C)c2ccnc(NC)n2)CC1
InChIInChI=1S/C13H23N5/c1-4-18-9-6-11(7-10-18)17(3)12-5-8-15-13(14-2)16-12/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,14,15,16)
InChIKeyIBQYPNWEOABSOY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds4

About 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80820786) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80820786
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCN1CCC(N(C)c2ccnc(NC)n2)CC1
InChIInChI=1S/C13H23N5/c1-4-18-9-6-11(7-10-18)17(3)12-5-8-15-13(14-2)16-12/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,14,15,16)
InChIKeyIBQYPNWEOABSOY-UHFFFAOYSA-N
XLogP1.44
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80820786) is 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is CCN1CCC(N(C)c2ccnc(NC)n2)CC1.
What is the InChIKey of 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is IBQYPNWEOABSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-18-9-6-11(7-10-18)17(3)12-5-8-15-13(14-2)16-12/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80820786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).