4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine

C9H16N4 — CID 80767008

IUPAC4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(NC)ncn1
InChIInChI=1S/C9H16N4/c1-4-13(5-2)9-6-8(10-3)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyIEOZSQISZODMMS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.36
Rot. Bonds4

About 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine

4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80767008) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80767008
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(NC)ncn1
InChIInChI=1S/C9H16N4/c1-4-13(5-2)9-6-8(10-3)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyIEOZSQISZODMMS-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine (CID 80767008) is 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine is CCN(CC)c1cc(NC)ncn1.
What is the InChIKey of 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is IEOZSQISZODMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-13(5-2)9-6-8(10-3)11-7-12-9/h6-7H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine?
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80767008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).