5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

C19H24ClN7 — CID 171998445

IUPAC5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N2CCCC(Nc3cc(N(C)C)ncn3)C2)c(C#N)c(C)c1Cl
InChIInChI=1S/C19H24ClN7/c1-12-15(9-21)19(24-13(2)18(12)20)27-7-5-6-14(10-27)25-16-8-17(26(3)4)23-11-22-16/h8,11,14H,5-7,10H2,1-4H3,(H,22,23,25)
InChIKeyRSKHWYCNKCHGPU-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.16
Rot. Bonds4

About 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 171998445) has the molecular formula C19H24ClN7 and a molecular weight of 385.90 g/mol. Its IUPAC name is 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID171998445
Molecular FormulaC19H24ClN7
Molecular Weight385.90 g/mol
Exact Mass385.18
IUPAC Name5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N2CCCC(Nc3cc(N(C)C)ncn3)C2)c(C#N)c(C)c1Cl
InChIInChI=1S/C19H24ClN7/c1-12-15(9-21)19(24-13(2)18(12)20)27-7-5-6-14(10-27)25-16-8-17(26(3)4)23-11-22-16/h8,11,14H,5-7,10H2,1-4H3,(H,22,23,25)
InChIKeyRSKHWYCNKCHGPU-UHFFFAOYSA-N
XLogP3.16
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 171998445) is 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is Cc1nc(N2CCCC(Nc3cc(N(C)C)ncn3)C2)c(C#N)c(C)c1Cl.
What is the InChIKey of 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is RSKHWYCNKCHGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7/c1-12-15(9-21)19(24-13(2)18(12)20)27-7-5-6-14(10-27)25-16-8-17(26(3)4)23-11-22-16/h8,11,14H,5-7,10H2,1-4H3,(H,22,23,25).
What are the key properties of 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 385.90 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 171998445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).