N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

C20H21N3O2 — CID 133356956

IUPACN-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
SMILESCOc1cccc(C(Nc2nccc(C)n2)c2cccc(OC)c2)c1
InChIInChI=1S/C20H21N3O2/c1-14-10-11-21-20(22-14)23-19(15-6-4-8-17(12-15)24-2)16-7-5-9-18(13-16)25-3/h4-13,19H,1-3H3,(H,21,22,23)
InChIKeyLXYNDRMCCRQEBY-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.00
Rot. Bonds6

About N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 133356956) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
PubChem CID133356956
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
SMILESCOc1cccc(C(Nc2nccc(C)n2)c2cccc(OC)c2)c1
InChIInChI=1S/C20H21N3O2/c1-14-10-11-21-20(22-14)23-19(15-6-4-8-17(12-15)24-2)16-7-5-9-18(13-16)25-3/h4-13,19H,1-3H3,(H,21,22,23)
InChIKeyLXYNDRMCCRQEBY-UHFFFAOYSA-N
XLogP4.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 30160578
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 131963630
1-(3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63156049
7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1020375
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine
CID 133362348
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 133304652
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383

Frequently Asked Questions

What is the IUPAC name of N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine (CID 133356956) is N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine is COc1cccc(C(Nc2nccc(C)n2)c2cccc(OC)c2)c1.
What is the InChIKey of N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is LXYNDRMCCRQEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-10-11-21-20(22-14)23-19(15-6-4-8-17(12-15)24-2)16-7-5-9-18(13-16)25-3/h4-13,19H,1-3H3,(H,21,22,23).
What are the key properties of N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133356956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).