5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine

C11H20N6 — CID 67157240

IUPAC5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CCCN(c2nc(N)nc(N)c2C)C1
InChIInChI=1S/C11H20N6/c1-7-9(12)15-11(13)16-10(7)17-5-3-4-8(6-17)14-2/h8,14H,3-6H2,1-2H3,(H4,12,13,15,16)
InChIKeyIBYKRFDDXYGKRR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.14
Rot. Bonds2

About 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine

5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 67157240) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine
PubChem CID67157240
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CCCN(c2nc(N)nc(N)c2C)C1
InChIInChI=1S/C11H20N6/c1-7-9(12)15-11(13)16-10(7)17-5-3-4-8(6-17)14-2/h8,14H,3-6H2,1-2H3,(H4,12,13,15,16)
InChIKeyIBYKRFDDXYGKRR-UHFFFAOYSA-N
XLogP0.14
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine (CID 67157240) is 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine is CNC1CCCN(c2nc(N)nc(N)c2C)C1.
What is the InChIKey of 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is IBYKRFDDXYGKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-7-9(12)15-11(13)16-10(7)17-5-3-4-8(6-17)14-2/h8,14H,3-6H2,1-2H3,(H4,12,13,15,16).
What are the key properties of 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[3-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67157240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).