2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine

C14H25N5 — CID 114517041

IUPAC2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCC2CCN(C)CC2)n1
InChIInChI=1S/C14H25N5/c1-3-15-14-17-9-5-13(18-14)16-8-4-12-6-10-19(2)11-7-12/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H2,15,16,17,18)
InChIKeyLZVLOYRZEGWEIH-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.05
Rot. Bonds6

About 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine

2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 114517041) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID114517041
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCC2CCN(C)CC2)n1
InChIInChI=1S/C14H25N5/c1-3-15-14-17-9-5-13(18-14)16-8-4-12-6-10-19(2)11-7-12/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H2,15,16,17,18)
InChIKeyLZVLOYRZEGWEIH-UHFFFAOYSA-N
XLogP2.05
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
N1-(4-(azepan-1-yl)pyrimidin-2-yl)ethane-1,2-diamine
CID 10198583
[4-(2-Dipropylamino-ethyl)-cyclohexyl]-pyrimidin-2-yl-amine
CID 10756932
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
N2-isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233801
n4-Isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54585781
N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 54754351

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine (CID 114517041) is 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine is CCNc1nccc(NCCC2CCN(C)CC2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is LZVLOYRZEGWEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-15-14-17-9-5-13(18-14)16-8-4-12-6-10-19(2)11-7-12/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114517041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).