1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea

C16H13Cl2N5O — CID 12904737

IUPAC1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2N5O/c1-8-20-7-9-6-10(13-11(17)4-3-5-12(13)18)15(22-14(9)21-8)23-16(24)19-2/h3-7H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyMQTOXEPPSPJOBV-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.06
Rot. Bonds2

About 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea

1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea (PubChem CID 12904737) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea
PubChem CID12904737
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Name1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2N5O/c1-8-20-7-9-6-10(13-11(17)4-3-5-12(13)18)15(22-14(9)21-8)23-16(24)19-2/h3-7H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyMQTOXEPPSPJOBV-UHFFFAOYSA-N
XLogP4.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea?
The IUPAC name of 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea (CID 12904737) is 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea.
What is the SMILES notation for 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea?
The canonical SMILES for 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea is CNC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea?
The InChIKey is MQTOXEPPSPJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-8-20-7-9-6-10(13-11(17)4-3-5-12(13)18)15(22-14(9)21-8)23-16(24)19-2/h3-7H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea?
1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea has a molecular weight of 362.22 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea is sourced from PubChem (CID 12904737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).