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

C12H21N5 — CID 142401938

IUPAC2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NC2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-3-14-12-15-9(2)8-11(17-12)16-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNENAEMODQHCEHU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds4

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

2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 142401938) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID142401938
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NC2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-3-14-12-15-9(2)8-11(17-12)16-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNENAEMODQHCEHU-UHFFFAOYSA-N
XLogP1.38
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 142401938) is 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine is CCNc1nc(C)cc(NC2CCNCC2)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is NENAEMODQHCEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-14-12-15-9(2)8-11(17-12)16-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 142401938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).