2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide

C19H17Cl2N5O2 — CID 59618263

IUPAC2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide
SMILESCc1cc(Nc2cc(NC(=O)c3c(Cl)cc(CO)cc3Cl)ccn2)nc(C)n1
InChIInChI=1S/C19H17Cl2N5O2/c1-10-5-17(24-11(2)23-10)26-16-8-13(3-4-22-16)25-19(28)18-14(20)6-12(9-27)7-15(18)21/h3-8,27H,9H2,1-2H3,(H2,22,23,24,25,26,28)
InChIKeyHYMQGUOEWNDEQI-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.28
Rot. Bonds5

About 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide

2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide (PubChem CID 59618263) has the molecular formula C19H17Cl2N5O2 and a molecular weight of 418.28 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide
PubChem CID59618263
Molecular FormulaC19H17Cl2N5O2
Molecular Weight418.28 g/mol
Exact Mass417.08
IUPAC Name2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide
SMILESCc1cc(Nc2cc(NC(=O)c3c(Cl)cc(CO)cc3Cl)ccn2)nc(C)n1
InChIInChI=1S/C19H17Cl2N5O2/c1-10-5-17(24-11(2)23-10)26-16-8-13(3-4-22-16)25-19(28)18-14(20)6-12(9-27)7-15(18)21/h3-8,27H,9H2,1-2H3,(H2,22,23,24,25,26,28)
InChIKeyHYMQGUOEWNDEQI-UHFFFAOYSA-N
XLogP4.28
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide (CID 59618263) is 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide is Cc1cc(Nc2cc(NC(=O)c3c(Cl)cc(CO)cc3Cl)ccn2)nc(C)n1.
What is the InChIKey of 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide?
The InChIKey is HYMQGUOEWNDEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2/c1-10-5-17(24-11(2)23-10)26-16-8-13(3-4-22-16)25-19(28)18-14(20)6-12(9-27)7-15(18)21/h3-8,27H,9H2,1-2H3,(H2,22,23,24,25,26,28).
What are the key properties of 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide?
2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide has a molecular weight of 418.28 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 59618263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).