5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine

C12H21N5 — CID 154815493

IUPAC5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCCc1c(NC)nc(N)nc1N1CCCCC1
InChIInChI=1S/C12H21N5/c1-3-9-10(14-2)15-12(13)16-11(9)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyIHEKCGZMPNDSRL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds3

About 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine

5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 154815493) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID154815493
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCCc1c(NC)nc(N)nc1N1CCCCC1
InChIInChI=1S/C12H21N5/c1-3-9-10(14-2)15-12(13)16-11(9)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyIHEKCGZMPNDSRL-UHFFFAOYSA-N
XLogP1.65
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 154815493) is 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine is CCc1c(NC)nc(N)nc1N1CCCCC1.
What is the InChIKey of 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is IHEKCGZMPNDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-9-10(14-2)15-12(13)16-11(9)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 154815493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).