N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine

C20H28N4O2 — CID 172891963

IUPACN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCOc1cccc(CN2CCCC(N(C)c3cc(C)ncn3)C2)c1OC
InChIInChI=1S/C20H28N4O2/c1-15-11-19(22-14-21-15)23(2)17-8-6-10-24(13-17)12-16-7-5-9-18(25-3)20(16)26-4/h5,7,9,11,14,17H,6,8,10,12-13H2,1-4H3
InChIKeyCSFLCAACDMLHTR-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.90
Rot. Bonds6

About N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine

N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 172891963) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID172891963
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCOc1cccc(CN2CCCC(N(C)c3cc(C)ncn3)C2)c1OC
InChIInChI=1S/C20H28N4O2/c1-15-11-19(22-14-21-15)23(2)17-8-6-10-24(13-17)12-16-7-5-9-18(25-3)20(16)26-4/h5,7,9,11,14,17H,6,8,10,12-13H2,1-4H3
InChIKeyCSFLCAACDMLHTR-UHFFFAOYSA-N
XLogP2.90
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 172892296
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172891872
N-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine
CID 171999463
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171995913
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 172892045
N-methyl-N-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 172893299
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136707369
4-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903250
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine (CID 172891963) is N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine is COc1cccc(CN2CCCC(N(C)c3cc(C)ncn3)C2)c1OC.
What is the InChIKey of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is CSFLCAACDMLHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-11-19(22-14-21-15)23(2)17-8-6-10-24(13-17)12-16-7-5-9-18(25-3)20(16)26-4/h5,7,9,11,14,17H,6,8,10,12-13H2,1-4H3.
What are the key properties of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 172891963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).