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

C22H26N4O2 — CID 3233147

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncncc2-c2ccccc2CN(C)C)c(OC)c1
InChIInChI=1S/C22H26N4O2/c1-26(2)14-17-7-5-6-8-19(17)20-13-23-15-25-22(20)24-12-16-9-10-18(27-3)11-21(16)28-4/h5-11,13,15H,12,14H2,1-4H3,(H,23,24,25)
InChIKeyJHQFBDRCTRMFMN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.83
Rot. Bonds8

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

N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine (PubChem CID 3233147) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine
PubChem CID3233147
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncncc2-c2ccccc2CN(C)C)c(OC)c1
InChIInChI=1S/C22H26N4O2/c1-26(2)14-17-7-5-6-8-19(17)20-13-23-15-25-22(20)24-12-16-9-10-18(27-3)11-21(16)28-4/h5-11,13,15H,12,14H2,1-4H3,(H,23,24,25)
InChIKeyJHQFBDRCTRMFMN-UHFFFAOYSA-N
XLogP3.83
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.83
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-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine (CID 3233147) is N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine is COc1ccc(CNc2ncncc2-c2ccccc2CN(C)C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine?
The InChIKey is JHQFBDRCTRMFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-26(2)14-17-7-5-6-8-19(17)20-13-23-15-25-22(20)24-12-16-9-10-18(27-3)11-21(16)28-4/h5-11,13,15H,12,14H2,1-4H3,(H,23,24,25).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.83, 8 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-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3233147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).