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N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

C24H30N6O2 — CID 110094212

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1cccc(OC)c1CN1CCC(c2cncc(Nc3nc(C)cc(C)n3)n2)CC1
InChIInChI=1S/C24H30N6O2/c1-16-12-17(2)27-24(26-16)29-23-14-25-13-20(28-23)18-8-10-30(11-9-18)15-19-21(31-3)6-5-7-22(19)32-4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,26,27,28,29)
InChIKeySOFBPXPRCCUNHO-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.02
Rot. Bonds7

About N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 110094212) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
PubChem CID110094212
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1cccc(OC)c1CN1CCC(c2cncc(Nc3nc(C)cc(C)n3)n2)CC1
InChIInChI=1S/C24H30N6O2/c1-16-12-17(2)27-24(26-16)29-23-14-25-13-20(28-23)18-8-10-30(11-9-18)15-19-21(31-3)6-5-7-22(19)32-4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,26,27,28,29)
InChIKeySOFBPXPRCCUNHO-UHFFFAOYSA-N
XLogP4.02
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (CID 110094212) is N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is COc1cccc(OC)c1CN1CCC(c2cncc(Nc3nc(C)cc(C)n3)n2)CC1.
What is the InChIKey of N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is SOFBPXPRCCUNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-12-17(2)27-24(26-16)29-23-14-25-13-20(28-23)18-8-10-30(11-9-18)15-19-21(31-3)6-5-7-22(19)32-4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,26,27,28,29).
What are the key properties of N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 434.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110094212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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