3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine

C11H11Cl2N5O — CID 87330243

IUPAC3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
SMILESCNc1nc(OC)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H11Cl2N5O/c1-14-10-7(3-4-8(17-10)19-2)16-9-6(12)5-15-11(13)18-9/h3-5H,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyDPMQVZVYYGIXLO-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.97
Rot. Bonds4

About 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine

3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine (PubChem CID 87330243) has the molecular formula C11H11Cl2N5O and a molecular weight of 300.15 g/mol. Its IUPAC name is 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
PubChem CID87330243
Molecular FormulaC11H11Cl2N5O
Molecular Weight300.15 g/mol
Exact Mass299.03
IUPAC Name3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
SMILESCNc1nc(OC)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H11Cl2N5O/c1-14-10-7(3-4-8(17-10)19-2)16-9-6(12)5-15-11(13)18-9/h3-5H,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyDPMQVZVYYGIXLO-UHFFFAOYSA-N
XLogP2.97
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine (CID 87330243) is 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine is CNc1nc(OC)ccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine?
The InChIKey is DPMQVZVYYGIXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O/c1-14-10-7(3-4-8(17-10)19-2)16-9-6(12)5-15-11(13)18-9/h3-5H,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine?
3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine has a molecular weight of 300.15 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 87330243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).