N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine

C10H19N5O — CID 66332280

IUPACN'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCOc1cc(N(CCN)CCN)nc(C)n1
InChIInChI=1S/C10H19N5O/c1-8-13-9(7-10(14-8)16-2)15(5-3-11)6-4-12/h7H,3-6,11-12H2,1-2H3
InChIKeyCDXYJFGTWDWWSZ-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.48
Rot. Bonds6

About N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 66332280) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID66332280
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCOc1cc(N(CCN)CCN)nc(C)n1
InChIInChI=1S/C10H19N5O/c1-8-13-9(7-10(14-8)16-2)15(5-3-11)6-4-12/h7H,3-6,11-12H2,1-2H3
InChIKeyCDXYJFGTWDWWSZ-UHFFFAOYSA-N
XLogP-0.48
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
CID 83834831
N'-(2,6-dimethylpyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63765131
methyl 3-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]propanoate
CID 66332677
N'-(6-methoxy-2-methylpyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 66333070
N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 63287245
6-(2-aminoethoxy)-N-(2-methoxyethyl)-N,2-dimethylpyrimidin-4-amine
CID 121206123
N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine
CID 66333911
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66332249
4-N,4-N-bis(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 80794923
N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 66318967
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 66334072

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 66332280) is N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine is COc1cc(N(CCN)CCN)nc(C)n1.
What is the InChIKey of N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is CDXYJFGTWDWWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8-13-9(7-10(14-8)16-2)15(5-3-11)6-4-12/h7H,3-6,11-12H2,1-2H3.
What are the key properties of N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 225.30 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66332280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).