N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine

C18H20N6 — CID 3394401

IUPACN',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2cccnc2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H20N6/c1-24(2)11-10-21-17-12-16(15-4-3-7-20-13-15)22-18(23-17)14-5-8-19-9-6-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyQLYQLGYLPAEHMB-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.57
Rot. Bonds6

About N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 3394401) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID3394401
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2cccnc2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H20N6/c1-24(2)11-10-21-17-12-16(15-4-3-7-20-13-15)22-18(23-17)14-5-8-19-9-6-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyQLYQLGYLPAEHMB-UHFFFAOYSA-N
XLogP2.57
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 3394401) is N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine is CN(C)CCNc1cc(-c2cccnc2)nc(-c2ccncc2)n1.
What is the InChIKey of N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is QLYQLGYLPAEHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-24(2)11-10-21-17-12-16(15-4-3-7-20-13-15)22-18(23-17)14-5-8-19-9-6-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 320.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 3394401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).