N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine

C24H29N5O2 — CID 133337542

IUPACN-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc(OC)c1
InChIInChI=1S/C24H29N5O2/c1-16-17(2)26-23(18-6-5-9-25-15-18)28-24(16)29-10-7-19(8-11-29)27-20-12-21(30-3)14-22(13-20)31-4/h5-6,9,12-15,19,27H,7-8,10-11H2,1-4H3
InChIKeyZDOAGSRTIZKABU-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.25
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine

N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 133337542) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
PubChem CID133337542
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc(OC)c1
InChIInChI=1S/C24H29N5O2/c1-16-17(2)26-23(18-6-5-9-25-15-18)28-24(16)29-10-7-19(8-11-29)27-20-12-21(30-3)14-22(13-20)31-4/h5-6,9,12-15,19,27H,7-8,10-11H2,1-4H3
InChIKeyZDOAGSRTIZKABU-UHFFFAOYSA-N
XLogP4.25
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine (CID 133337542) is N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine is COc1cc(NC2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is ZDOAGSRTIZKABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-17(2)26-23(18-6-5-9-25-15-18)28-24(16)29-10-7-19(8-11-29)27-20-12-21(30-3)14-22(13-20)31-4/h5-6,9,12-15,19,27H,7-8,10-11H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine?
N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 419.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 133337542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).