N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

C20H22N4O — CID 133317332

IUPACN-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCOc1cccc(CNc2nc(-c3cccnc3)nc(C)c2C)c1
InChIInChI=1S/C20H22N4O/c1-4-25-18-9-5-7-16(11-18)12-22-19-14(2)15(3)23-20(24-19)17-8-6-10-21-13-17/h5-11,13H,4,12H2,1-3H3,(H,22,23,24)
InChIKeyZMTXNUPCHBEZKZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.17
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133317332) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133317332
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCOc1cccc(CNc2nc(-c3cccnc3)nc(C)c2C)c1
InChIInChI=1S/C20H22N4O/c1-4-25-18-9-5-7-16(11-18)12-22-19-14(2)15(3)23-20(24-19)17-8-6-10-21-13-17/h5-11,13H,4,12H2,1-3H3,(H,22,23,24)
InChIKeyZMTXNUPCHBEZKZ-UHFFFAOYSA-N
XLogP4.17
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
N-[3-(methoxymethyl)phenyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133351038
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598676
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 86794201
N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133317329
5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 79727218
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316513

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133317332) is N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is CCOc1cccc(CNc2nc(-c3cccnc3)nc(C)c2C)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is ZMTXNUPCHBEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-25-18-9-5-7-16(11-18)12-22-19-14(2)15(3)23-20(24-19)17-8-6-10-21-13-17/h5-11,13H,4,12H2,1-3H3,(H,22,23,24).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133317332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).