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

C14H19N5O — CID 50966824

IUPACN'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine
SMILESCOc1cc(NCC(c2ccccn2)N(C)C)ncn1
InChIInChI=1S/C14H19N5O/c1-19(2)12(11-6-4-5-7-15-11)9-16-13-8-14(20-3)18-10-17-13/h4-8,10,12H,9H2,1-3H3,(H,16,17,18)
InChIKeyBGMKAXXYYVBQKI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds6

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

N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine (PubChem CID 50966824) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine
PubChem CID50966824
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine
SMILESCOc1cc(NCC(c2ccccn2)N(C)C)ncn1
InChIInChI=1S/C14H19N5O/c1-19(2)12(11-6-4-5-7-15-11)9-16-13-8-14(20-3)18-10-17-13/h4-8,10,12H,9H2,1-3H3,(H,16,17,18)
InChIKeyBGMKAXXYYVBQKI-UHFFFAOYSA-N
XLogP1.60
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine (CID 50966824) is N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine is COc1cc(NCC(c2ccccn2)N(C)C)ncn1.
What is the InChIKey of N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine?
The InChIKey is BGMKAXXYYVBQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19(2)12(11-6-4-5-7-15-11)9-16-13-8-14(20-3)18-10-17-13/h4-8,10,12H,9H2,1-3H3,(H,16,17,18).
What are the key properties of N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine?
N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-1-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 50966824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).