2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine

C12H21N5 — CID 54112328

IUPAC2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C2CCNCC2)nc(N)c1C
InChIInChI=1S/C12H21N5/c1-8-9(2)15-12(16-11(8)13)17(3)10-4-6-14-7-5-10/h10,14H,4-7H2,1-3H3,(H2,13,15,16)
InChIKeyNHYVQMVEFUNJSA-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.86
Rot. Bonds2

About 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine

2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 54112328) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID54112328
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C2CCNCC2)nc(N)c1C
InChIInChI=1S/C12H21N5/c1-8-9(2)15-12(16-11(8)13)17(3)10-4-6-14-7-5-10/h10,14H,4-7H2,1-3H3,(H2,13,15,16)
InChIKeyNHYVQMVEFUNJSA-UHFFFAOYSA-N
XLogP0.86
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 54112328) is 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine is Cc1nc(N(C)C2CCNCC2)nc(N)c1C.
What is the InChIKey of 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is NHYVQMVEFUNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-9(2)15-12(16-11(8)13)17(3)10-4-6-14-7-5-10/h10,14H,4-7H2,1-3H3,(H2,13,15,16).
What are the key properties of 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5,6-trimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54112328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).