5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

C25H25N5O — CID 11281346

IUPAC5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C25H25N5O/c26-24-23(20-11-13-21(14-12-20)28-15-18-7-3-1-4-8-18)22(29-25(27)30-24)17-31-16-19-9-5-2-6-10-19/h1-14,28H,15-17H2,(H4,26,27,29,30)
InChIKeyRXJCQXFHLUPFNH-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.64
Rot. Bonds8

About 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine (PubChem CID 11281346) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
PubChem CID11281346
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C25H25N5O/c26-24-23(20-11-13-21(14-12-20)28-15-18-7-3-1-4-8-18)22(29-25(27)30-24)17-31-16-19-9-5-2-6-10-19/h1-14,28H,15-17H2,(H4,26,27,29,30)
InChIKeyRXJCQXFHLUPFNH-UHFFFAOYSA-N
XLogP4.64
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine (CID 11281346) is 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1.
What is the InChIKey of 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine?
The InChIKey is RXJCQXFHLUPFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c26-24-23(20-11-13-21(14-12-20)28-15-18-7-3-1-4-8-18)22(29-25(27)30-24)17-31-16-19-9-5-2-6-10-19/h1-14,28H,15-17H2,(H4,26,27,29,30).
What are the key properties of 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine?
5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine has a molecular weight of 411.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11281346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).