N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine

C10H19N5O — CID 66327161

IUPACN'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCOc1ncnc(N(CCN)CCN)c1C
InChIInChI=1S/C10H19N5O/c1-8-9(13-7-14-10(8)16-2)15(5-3-11)6-4-12/h7H,3-6,11-12H2,1-2H3
InChIKeyNKHYUZBSKSYCFR-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.48
Rot. Bonds6

About N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 66327161) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID66327161
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCOc1ncnc(N(CCN)CCN)c1C
InChIInChI=1S/C10H19N5O/c1-8-9(13-7-14-10(8)16-2)15(5-3-11)6-4-12/h7H,3-6,11-12H2,1-2H3
InChIKeyNKHYUZBSKSYCFR-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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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 66327161) is N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine is COc1ncnc(N(CCN)CCN)c1C.
What is the InChIKey of N'-(2-aminoethyl)-N'-(6-methoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is NKHYUZBSKSYCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8-9(13-7-14-10(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-5-methylpyrimidin-4-yl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(6-methoxy-5-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-5-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66327161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).