(5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium

C7H15N4+ — CID 163453184

IUPAC(5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium
SMILESCCC1N=CNC([NH2+]C)=C1N
InChIInChI=1S/C7H14N4/c1-3-5-6(8)7(9-2)11-4-10-5/h4-5,9H,3,8H2,1-2H3,(H,10,11)/p+1
InChIKeyBIFVMXQUCTVBEZ-UHFFFAOYSA-O
MW155.22 g/mol
LogP-1.28
Rot. Bonds2

About (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium

(5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium (PubChem CID 163453184) has the molecular formula C7H15N4+ and a molecular weight of 155.22 g/mol. Its IUPAC name is (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium.

Molecular Properties

Compound Name(5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium
PubChem CID163453184
Molecular FormulaC7H15N4+
Molecular Weight155.22 g/mol
Exact Mass155.13
IUPAC Name(5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium
SMILESCCC1N=CNC([NH2+]C)=C1N
InChIInChI=1S/C7H14N4/c1-3-5-6(8)7(9-2)11-4-10-5/h4-5,9H,3,8H2,1-2H3,(H,10,11)/p+1
InChIKeyBIFVMXQUCTVBEZ-UHFFFAOYSA-O
XLogP-1.28
TPSA67.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1H-pyrimidine-4,5-diamine
CID 141404930
4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine
CID 143364724
4-N,4-dimethyl-1H-pyrimidine-4,5,6-triamine
CID 149647618
6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine
CID 163745809
4-ethyl-5-(ethylideneamino)-N-propan-2-yl-1,4-dihydropyrimidin-6-amine
CID 164104343
6-N-ethyl-4-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 166763489
6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 170101546
4-ethyl-6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 163453185
6-methyl-6,7,8,9-tetrahydro-3H-purine
CID 171816845

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium?
The IUPAC name of (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium (CID 163453184) is (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium.
What is the SMILES notation for (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium?
The canonical SMILES for (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium is CCC1N=CNC([NH2+]C)=C1N.
What is the InChIKey of (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium?
The InChIKey is BIFVMXQUCTVBEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N4/c1-3-5-6(8)7(9-2)11-4-10-5/h4-5,9H,3,8H2,1-2H3,(H,10,11)/p+1.
What are the key properties of (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium?
(5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium has a molecular weight of 155.22 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium is sourced from PubChem (CID 163453184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).