3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile

C16H13N7 — CID 172624283

IUPAC3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCc1cccc(Nc2cc(Nc3cccnc3C#N)ncn2)n1
InChIInChI=1S/C16H13N7/c1-11-4-2-6-14(21-11)23-16-8-15(19-10-20-16)22-12-5-3-7-18-13(12)9-17/h2-8,10H,1H3,(H2,19,20,21,22,23)
InChIKeyOYPINSSIMVFOSD-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.93
Rot. Bonds4

About 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile

3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile (PubChem CID 172624283) has the molecular formula C16H13N7 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile
PubChem CID172624283
Molecular FormulaC16H13N7
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCc1cccc(Nc2cc(Nc3cccnc3C#N)ncn2)n1
InChIInChI=1S/C16H13N7/c1-11-4-2-6-14(21-11)23-16-8-15(19-10-20-16)22-12-5-3-7-18-13(12)9-17/h2-8,10H,1H3,(H2,19,20,21,22,23)
InChIKeyOYPINSSIMVFOSD-UHFFFAOYSA-N
XLogP2.93
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile (CID 172624283) is 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile is Cc1cccc(Nc2cc(Nc3cccnc3C#N)ncn2)n1.
What is the InChIKey of 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The InChIKey is OYPINSSIMVFOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7/c1-11-4-2-6-14(21-11)23-16-8-15(19-10-20-16)22-12-5-3-7-18-13(12)9-17/h2-8,10H,1H3,(H2,19,20,21,22,23).
What are the key properties of 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile?
3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile has a molecular weight of 303.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 172624283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).