5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine

C26H26N4O — CID 70830445

IUPAC5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine
SMILESCc1ccc(CNc2ccc(-c3cnc(N)nc3COCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H26N4O/c1-19-7-9-20(10-8-19)15-28-23-13-11-22(12-14-23)24-16-29-26(27)30-25(24)18-31-17-21-5-3-2-4-6-21/h2-14,16,28H,15,17-18H2,1H3,(H2,27,29,30)
InChIKeyIHPGYSHRMBNNJV-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.36
Rot. Bonds8

About 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine

5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine (PubChem CID 70830445) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine
PubChem CID70830445
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine
SMILESCc1ccc(CNc2ccc(-c3cnc(N)nc3COCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H26N4O/c1-19-7-9-20(10-8-19)15-28-23-13-11-22(12-14-23)24-16-29-26(27)30-25(24)18-31-17-21-5-3-2-4-6-21/h2-14,16,28H,15,17-18H2,1H3,(H2,27,29,30)
InChIKeyIHPGYSHRMBNNJV-UHFFFAOYSA-N
XLogP5.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(1H-imidazol-2-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
CID 11773987
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
CID 157155590
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896
5-[4-(aminomethyl)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
CID 11660043
N-benzyl-4-methylaniline;1-bromo-4-methylbenzene;phenylmethanamine
CID 158372976
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
5-[4-[(4-chlorophenyl)methylamino]cyclohexa-1,2,3-trien-1-yl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
CID 176543689
2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 25211898

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine?
The IUPAC name of 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine (CID 70830445) is 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine is Cc1ccc(CNc2ccc(-c3cnc(N)nc3COCc3ccccc3)cc2)cc1.
What is the InChIKey of 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine?
The InChIKey is IHPGYSHRMBNNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-19-7-9-20(10-8-19)15-28-23-13-11-22(12-14-23)24-16-29-26(27)30-25(24)18-31-17-21-5-3-2-4-6-21/h2-14,16,28H,15,17-18H2,1H3,(H2,27,29,30).
What are the key properties of 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine?
5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine has a molecular weight of 410.52 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methylphenyl)methylamino]phenyl]-4-(phenylmethoxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 70830445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).