N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine

C21H24N4O2 — CID 3232982

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncncc2-c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C21H24N4O2/c1-25(2)17-8-5-15(6-9-17)19-13-22-14-24-21(19)23-12-16-7-10-18(26-3)11-20(16)27-4/h5-11,13-14H,12H2,1-4H3,(H,22,23,24)
InChIKeyCRFKBHQGYXHOEV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.84
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine (PubChem CID 3232982) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine
PubChem CID3232982
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncncc2-c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C21H24N4O2/c1-25(2)17-8-5-15(6-9-17)19-13-22-14-24-21(19)23-12-16-7-10-18(26-3)11-20(16)27-4/h5-11,13-14H,12H2,1-4H3,(H,22,23,24)
InChIKeyCRFKBHQGYXHOEV-UHFFFAOYSA-N
XLogP3.84
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine (CID 3232982) is N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine is COc1ccc(CNc2ncncc2-c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine?
The InChIKey is CRFKBHQGYXHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25(2)17-8-5-15(6-9-17)19-13-22-14-24-21(19)23-12-16-7-10-18(26-3)11-20(16)27-4/h5-11,13-14H,12H2,1-4H3,(H,22,23,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3232982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).