4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine

C13H23N5 — CID 114506491

IUPAC4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1CCN(C)CC1C
InChIInChI=1S/C13H23N5/c1-4-10-12(14)15-8-16-13(10)17-11-5-6-18(3)7-9(11)2/h8-9,11H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyJAMKNDQLRPKGPG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.37
Rot. Bonds3

About 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine

4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 114506491) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine
PubChem CID114506491
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1CCN(C)CC1C
InChIInChI=1S/C13H23N5/c1-4-10-12(14)15-8-16-13(10)17-11-5-6-18(3)7-9(11)2/h8-9,11H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyJAMKNDQLRPKGPG-UHFFFAOYSA-N
XLogP1.37
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine
CID 114506446
4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 80840241
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 114506749
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80839219
N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine
CID 114504858
5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80807733
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173
4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine
CID 80778398
5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80812781
ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate
CID 114505844
2-N-(1,3-dimethylpiperidin-4-yl)pyridine-2,5-diamine
CID 114502996

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine (CID 114506491) is 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1NC1CCN(C)CC1C.
What is the InChIKey of 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is JAMKNDQLRPKGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-10-12(14)15-8-16-13(10)17-11-5-6-18(3)7-9(11)2/h8-9,11H,4-7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine?
4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114506491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).