5-(2-aminoethyl)-4-methoxypyrimidin-2-amine

C7H12N4O — CID 83851815

IUPAC5-(2-aminoethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1CCN
InChIInChI=1S/C7H12N4O/c1-12-6-5(2-3-8)4-10-7(9)11-6/h4H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyMYNZKRGZCCFONF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.43
Rot. Bonds3

About 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine

5-(2-aminoethyl)-4-methoxypyrimidin-2-amine (PubChem CID 83851815) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-methoxypyrimidin-2-amine
PubChem CID83851815
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-(2-aminoethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1CCN
InChIInChI=1S/C7H12N4O/c1-12-6-5(2-3-8)4-10-7(9)11-6/h4H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyMYNZKRGZCCFONF-UHFFFAOYSA-N
XLogP-0.43
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-butyl-4-methoxypyrimidin-2-amine
CID 13301093
4,5-dimethoxypyrimidin-2-amine
CID 12988104
2-(2,6-dimethoxyquinolin-3-yl)ethanamine
CID 170868890
5-but-2-en-2-yl-4-methoxypyrimidin-2-amine
CID 123348175
(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine
CID 83851940
5-(2-amino-5-methoxypyrimidin-4-yl)-4-methoxypyrimidin-2-amine
CID 51063035
5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine
CID 105450108
5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine
CID 178023722
5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one
CID 83873868
2-(5,6-dimethoxy-3-pyridinyl)ethanamine
CID 66847650
4-ethoxypyrimidine-2,5-diamine
CID 119098064
2-(3,6-dimethoxy-5-propyl-2-pyridinyl)ethanamine
CID 169246607

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine (CID 83851815) is 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine is COc1nc(N)ncc1CCN.
What is the InChIKey of 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is MYNZKRGZCCFONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-12-6-5(2-3-8)4-10-7(9)11-6/h4H,2-3,8H2,1H3,(H2,9,10,11).
What are the key properties of 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine?
5-(2-aminoethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 168.20 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 83851815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).