N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C18H24N4O2 — CID 47045756

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCOc1cccc(CNC2CCCN(c3ncccn3)C2)c1OC
InChIInChI=1S/C18H24N4O2/c1-23-16-8-3-6-14(17(16)24-2)12-21-15-7-4-11-22(13-15)18-19-9-5-10-20-18/h3,5-6,8-10,15,21H,4,7,11-13H2,1-2H3
InChIKeyHVAQOSINAQNNNC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 47045756) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID47045756
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCOc1cccc(CNC2CCCN(c3ncccn3)C2)c1OC
InChIInChI=1S/C18H24N4O2/c1-23-16-8-3-6-14(17(16)24-2)12-21-15-7-4-11-22(13-15)18-19-9-5-10-20-18/h3,5-6,8-10,15,21H,4,7,11-13H2,1-2H3
InChIKeyHVAQOSINAQNNNC-UHFFFAOYSA-N
XLogP2.25
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42508304
N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728549
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 116501051
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 47045756) is N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is COc1cccc(CNC2CCCN(c3ncccn3)C2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is HVAQOSINAQNNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-16-8-3-6-14(17(16)24-2)12-21-15-7-4-11-22(13-15)18-19-9-5-10-20-18/h3,5-6,8-10,15,21H,4,7,11-13H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 47045756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).