4-(2-aminoethyl)-6-methoxypyrimidin-2-amine

C7H12N4O — CID 83851816

IUPAC4-(2-aminoethyl)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(CCN)nc(N)n1
InChIInChI=1S/C7H12N4O/c1-12-6-4-5(2-3-8)10-7(9)11-6/h4H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyYEUFTNCSXXZBKS-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.43
Rot. Bonds3

About 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine

4-(2-aminoethyl)-6-methoxypyrimidin-2-amine (PubChem CID 83851816) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-methoxypyrimidin-2-amine
PubChem CID83851816
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-(2-aminoethyl)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(CCN)nc(N)n1
InChIInChI=1S/C7H12N4O/c1-12-6-4-5(2-3-8)10-7(9)11-6/h4H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyYEUFTNCSXXZBKS-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

2-(2-ethyl-6-methoxypyrimidin-4-yl)ethanamine
CID 83851900
2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
CID 83889810
4-(2-aminoethyl)-6-chloropyrimidin-2-amine
CID 83851850
6-(2-aminoethyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 83851902
3-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)propan-1-amine
CID 83884578
4-fluoro-6-methoxypyrimidin-2-amine
CID 759140
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
CID 175737665
(2-bromo-6-methoxypyrimidin-4-yl)methanamine
CID 83852368
(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851901
4,6-bis(trideuteriomethoxy)pyrimidin-2-amine
CID 71313201

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine (CID 83851816) is 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine is COc1cc(CCN)nc(N)n1.
What is the InChIKey of 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine?
The InChIKey is YEUFTNCSXXZBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-12-6-4-5(2-3-8)10-7(9)11-6/h4H,2-3,8H2,1H3,(H2,9,10,11).
What are the key properties of 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine?
4-(2-aminoethyl)-6-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 4-(2-aminoethyl)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 83851816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).