6-ethyl-1,4-dihydropyrimidin-4-amine

C6H11N3 — CID 123387802

IUPAC6-ethyl-1,4-dihydropyrimidin-4-amine
SMILESCCC1=CC(N)N=CN1
InChIInChI=1S/C6H11N3/c1-2-5-3-6(7)9-4-8-5/h3-4,6H,2,7H2,1H3,(H,8,9)
InChIKeyVENYKMJNYYGXOA-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.20
Rot. Bonds1

About 6-ethyl-1,4-dihydropyrimidin-4-amine

6-ethyl-1,4-dihydropyrimidin-4-amine (PubChem CID 123387802) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-ethyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-1,4-dihydropyrimidin-4-amine
PubChem CID123387802
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name6-ethyl-1,4-dihydropyrimidin-4-amine
SMILESCCC1=CC(N)N=CN1
InChIInChI=1S/C6H11N3/c1-2-5-3-6(7)9-4-8-5/h3-4,6H,2,7H2,1H3,(H,8,9)
InChIKeyVENYKMJNYYGXOA-UHFFFAOYSA-N
XLogP0.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dimethyl-6-chloropyrimidine
CID 129797647
InChI=1/C7H12N2/c1-6-4-7(2,3)9-5-8-6/h4-5H,1-3H3,(H,8,9
CID 5324921
6-Methyl-1,4-dihydropyrimidine
CID 19748724
6-Ethyl-1,4-dihydropyrimidine
CID 19748726
6-Propylpyrimidine-4-thiol
CID 52004866
6-methylidene-4,5-dihydro-1H-pyrimidine
CID 59716033
6-ethyl-1H-pyrimidine-4-thione
CID 61236035
6-(Propan-2-yl)pyrimidine-4-thiol
CID 61240348
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
N,6-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452821
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007
4,7-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 91513752

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of 6-ethyl-1,4-dihydropyrimidin-4-amine (CID 123387802) is 6-ethyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for 6-ethyl-1,4-dihydropyrimidin-4-amine is CCC1=CC(N)N=CN1.
What is the InChIKey of 6-ethyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is VENYKMJNYYGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-5-3-6(7)9-4-8-5/h3-4,6H,2,7H2,1H3,(H,8,9).
What are the key properties of 6-ethyl-1,4-dihydropyrimidin-4-amine?
6-ethyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 125.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 123387802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).