4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine

C7H14N4 — CID 175809532

IUPAC4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(C)NC(N)=N1
InChIInChI=1S/C7H14N4/c1-3-7(9)4-5(2)10-6(8)11-7/h4H,3,9H2,1-2H3,(H3,8,10,11)
InChIKeyZSPPYUGDTJPSGC-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.13
Rot. Bonds1

About 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine

4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine (PubChem CID 175809532) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine
PubChem CID175809532
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(C)NC(N)=N1
InChIInChI=1S/C7H14N4/c1-3-7(9)4-5(2)10-6(8)11-7/h4H,3,9H2,1-2H3,(H3,8,10,11)
InChIKeyZSPPYUGDTJPSGC-UHFFFAOYSA-N
XLogP-0.13
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine (CID 175809532) is 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine is CCC1(N)C=C(C)NC(N)=N1.
What is the InChIKey of 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine?
The InChIKey is ZSPPYUGDTJPSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-7(9)4-5(2)10-6(8)11-7/h4H,3,9H2,1-2H3,(H3,8,10,11).
What are the key properties of 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine?
4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 175809532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).