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

C11H19N5 — CID 54120636

IUPAC5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCc1nc(NC2CCNCC2)nc(N)c1C
InChIInChI=1S/C11H19N5/c1-7-8(2)14-11(16-10(7)12)15-9-3-5-13-6-4-9/h9,13H,3-6H2,1-2H3,(H3,12,14,15,16)
InChIKeyNNLKKPSGKTWZEY-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.84
Rot. Bonds2

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

5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 54120636) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID54120636
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCc1nc(NC2CCNCC2)nc(N)c1C
InChIInChI=1S/C11H19N5/c1-7-8(2)14-11(16-10(7)12)15-9-3-5-13-6-4-9/h9,13H,3-6H2,1-2H3,(H3,12,14,15,16)
InChIKeyNNLKKPSGKTWZEY-UHFFFAOYSA-N
XLogP0.84
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 54120636) is 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine is Cc1nc(NC2CCNCC2)nc(N)c1C.
What is the InChIKey of 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is NNLKKPSGKTWZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-7-8(2)14-11(16-10(7)12)15-9-3-5-13-6-4-9/h9,13H,3-6H2,1-2H3,(H3,12,14,15,16).
What are the key properties of 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54120636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).