4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine

C14H25N5 — CID 80821340

IUPAC4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCN1CCC(N(C)c2nc(C)nc(N)c2C)CC1
InChIInChI=1S/C14H25N5/c1-5-19-8-6-12(7-9-19)18(4)14-10(2)13(15)16-11(3)17-14/h12H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyBHOPNLKRXYLBFG-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.60
Rot. Bonds3

About 4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80821340) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80821340
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCN1CCC(N(C)c2nc(C)nc(N)c2C)CC1
InChIInChI=1S/C14H25N5/c1-5-19-8-6-12(7-9-19)18(4)14-10(2)13(15)16-11(3)17-14/h12H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyBHOPNLKRXYLBFG-UHFFFAOYSA-N
XLogP1.60
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.60
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)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80821340) is 4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is CCN1CCC(N(C)c2nc(C)nc(N)c2C)CC1.
What is the InChIKey of 4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is BHOPNLKRXYLBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-19-8-6-12(7-9-19)18(4)14-10(2)13(15)16-11(3)17-14/h12H,5-9H2,1-4H3,(H2,15,16,17).
What are the key properties of 4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.60, 3 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)-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80821340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).