4-N-ethyl-4-N-propylpyrimidine-4,5-diamine

C9H16N4 — CID 79915949

IUPAC4-N-ethyl-4-N-propylpyrimidine-4,5-diamine
SMILESCCCN(CC)c1ncncc1N
InChIInChI=1S/C9H16N4/c1-3-5-13(4-2)9-8(10)6-11-7-12-9/h6-7H,3-5,10H2,1-2H3
InChIKeyRCVJCYZUWRRQPJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.30
Rot. Bonds4

About 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine

4-N-ethyl-4-N-propylpyrimidine-4,5-diamine (PubChem CID 79915949) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-propylpyrimidine-4,5-diamine
PubChem CID79915949
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-N-ethyl-4-N-propylpyrimidine-4,5-diamine
SMILESCCCN(CC)c1ncncc1N
InChIInChI=1S/C9H16N4/c1-3-5-13(4-2)9-8(10)6-11-7-12-9/h6-7H,3-5,10H2,1-2H3
InChIKeyRCVJCYZUWRRQPJ-UHFFFAOYSA-N
XLogP1.30
TPSA55.04 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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine (CID 79915949) is 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine is CCCN(CC)c1ncncc1N.
What is the InChIKey of 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine?
The InChIKey is RCVJCYZUWRRQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-5-13(4-2)9-8(10)6-11-7-12-9/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine?
4-N-ethyl-4-N-propylpyrimidine-4,5-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 79915949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).