N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine

C18H19N5O2 — CID 3282641

IUPACN-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOC(CNc1cc(-c2cccnc2)nc(-c2ccncc2)n1)OC
InChIInChI=1S/C18H19N5O2/c1-24-17(25-2)12-21-16-10-15(14-4-3-7-20-11-14)22-18(23-16)13-5-8-19-9-6-13/h3-11,17H,12H2,1-2H3,(H,21,22,23)
InChIKeyMQLYOUHOTPUGHH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine

N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 3282641) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID3282641
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOC(CNc1cc(-c2cccnc2)nc(-c2ccncc2)n1)OC
InChIInChI=1S/C18H19N5O2/c1-24-17(25-2)12-21-16-10-15(14-4-3-7-20-11-14)22-18(23-16)13-5-8-19-9-6-13/h3-11,17H,12H2,1-2H3,(H,21,22,23)
InChIKeyMQLYOUHOTPUGHH-UHFFFAOYSA-N
XLogP2.63
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (CID 3282641) is N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is COC(CNc1cc(-c2cccnc2)nc(-c2ccncc2)n1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is MQLYOUHOTPUGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-24-17(25-2)12-21-16-10-15(14-4-3-7-20-11-14)22-18(23-16)13-5-8-19-9-6-13/h3-11,17H,12H2,1-2H3,(H,21,22,23).
What are the key properties of N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 337.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3282641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).