[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone

C23H29N5O — CID 110264183

IUPAC[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCc1cc(C)nc(Nc2ccc(C3CCN(C(=O)C4CC45CCC5)CC3)nc2)n1
InChIInChI=1S/C23H29N5O/c1-15-12-16(2)26-22(25-15)27-18-4-5-20(24-14-18)17-6-10-28(11-7-17)21(29)19-13-23(19)8-3-9-23/h4-5,12,14,17,19H,3,6-11,13H2,1-2H3,(H,25,26,27)
InChIKeyDGXRACJCJIVGKN-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.13
Rot. Bonds4

About [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone

[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone (PubChem CID 110264183) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
PubChem CID110264183
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCc1cc(C)nc(Nc2ccc(C3CCN(C(=O)C4CC45CCC5)CC3)nc2)n1
InChIInChI=1S/C23H29N5O/c1-15-12-16(2)26-22(25-15)27-18-4-5-20(24-14-18)17-6-10-28(11-7-17)21(29)19-13-23(19)8-3-9-23/h4-5,12,14,17,19H,3,6-11,13H2,1-2H3,(H,25,26,27)
InChIKeyDGXRACJCJIVGKN-UHFFFAOYSA-N
XLogP4.13
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The IUPAC name of [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone (CID 110264183) is [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone.
What is the SMILES notation for [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The canonical SMILES for [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone is Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)C4CC45CCC5)CC3)nc2)n1.
What is the InChIKey of [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The InChIKey is DGXRACJCJIVGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15-12-16(2)26-22(25-15)27-18-4-5-20(24-14-18)17-6-10-28(11-7-17)21(29)19-13-23(19)8-3-9-23/h4-5,12,14,17,19H,3,6-11,13H2,1-2H3,(H,25,26,27).
What are the key properties of [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone has a molecular weight of 391.52 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone is sourced from PubChem (CID 110264183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).