N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine

C12H15N5O — CID 50977675

IUPACN'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
SMILESCOc1cc(NCCNc2cccnc2)ncn1
InChIInChI=1S/C12H15N5O/c1-18-12-7-11(16-9-17-12)15-6-5-14-10-3-2-4-13-8-10/h2-4,7-9,14H,5-6H2,1H3,(H,15,16,17)
InChIKeyFETJVSVECXIUEF-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.40
Rot. Bonds6

About N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine

N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine (PubChem CID 50977675) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
PubChem CID50977675
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
SMILESCOc1cc(NCCNc2cccnc2)ncn1
InChIInChI=1S/C12H15N5O/c1-18-12-7-11(16-9-17-12)15-6-5-14-10-3-2-4-13-8-10/h2-4,7-9,14H,5-6H2,1H3,(H,15,16,17)
InChIKeyFETJVSVECXIUEF-UHFFFAOYSA-N
XLogP1.40
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine (CID 50977675) is N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine is COc1cc(NCCNc2cccnc2)ncn1.
What is the InChIKey of N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine?
The InChIKey is FETJVSVECXIUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-18-12-7-11(16-9-17-12)15-6-5-14-10-3-2-4-13-8-10/h2-4,7-9,14H,5-6H2,1H3,(H,15,16,17).
What are the key properties of N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine?
N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine has a molecular weight of 245.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxypyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 50977675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).