4,6-diethylpyrimidin-5-amine;hydrochloride

C8H14ClN3 — CID 119057009

IUPAC4,6-diethylpyrimidin-5-amine;hydrochloride
SMILESCCc1ncnc(CC)c1N.Cl
InChIInChI=1S/C8H13N3.ClH/c1-3-6-8(9)7(4-2)11-5-10-6;/h5H,3-4,9H2,1-2H3;1H
InChIKeyPZJBKBBFRKQVBK-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.61
Rot. Bonds2

About 4,6-diethylpyrimidin-5-amine;hydrochloride

4,6-diethylpyrimidin-5-amine;hydrochloride (PubChem CID 119057009) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 4,6-diethylpyrimidin-5-amine;hydrochloride.

Molecular Properties

Compound Name4,6-diethylpyrimidin-5-amine;hydrochloride
PubChem CID119057009
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name4,6-diethylpyrimidin-5-amine;hydrochloride
SMILESCCc1ncnc(CC)c1N.Cl
InChIInChI=1S/C8H13N3.ClH/c1-3-6-8(9)7(4-2)11-5-10-6;/h5H,3-4,9H2,1-2H3;1H
InChIKeyPZJBKBBFRKQVBK-UHFFFAOYSA-N
XLogP1.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethylpyrimidin-5-amine;hydrochloride?
The IUPAC name of 4,6-diethylpyrimidin-5-amine;hydrochloride (CID 119057009) is 4,6-diethylpyrimidin-5-amine;hydrochloride.
What is the SMILES notation for 4,6-diethylpyrimidin-5-amine;hydrochloride?
The canonical SMILES for 4,6-diethylpyrimidin-5-amine;hydrochloride is CCc1ncnc(CC)c1N.Cl.
What is the InChIKey of 4,6-diethylpyrimidin-5-amine;hydrochloride?
The InChIKey is PZJBKBBFRKQVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.ClH/c1-3-6-8(9)7(4-2)11-5-10-6;/h5H,3-4,9H2,1-2H3;1H.
What are the key properties of 4,6-diethylpyrimidin-5-amine;hydrochloride?
4,6-diethylpyrimidin-5-amine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethylpyrimidin-5-amine;hydrochloride is sourced from PubChem (CID 119057009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).