4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

C9H16N4 — CID 57072448

IUPAC4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(N)n1
InChIInChI=1S/C9H16N4/c1-4-13(5-2)8-6-7(3)11-9(10)12-8/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyCXCNJODYKIKVCI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.21
Rot. Bonds3

About 4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 57072448) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID57072448
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(N)n1
InChIInChI=1S/C9H16N4/c1-4-13(5-2)8-6-7(3)11-9(10)12-8/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyCXCNJODYKIKVCI-UHFFFAOYSA-N
XLogP1.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.21
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-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 57072448) is 4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1cc(C)nc(N)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is CXCNJODYKIKVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-13(5-2)8-6-7(3)11-9(10)12-8/h6H,4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of 4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.21, 3 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-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 57072448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).