N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide

C26H24FN5O2 — CID 11259629

IUPACN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3F)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C26H24FN5O2/c27-21-9-5-4-8-19(21)14-23(33)30-20-12-10-18(11-13-20)24-22(31-26(29)32-25(24)28)16-34-15-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,30,33)(H4,28,29,31,32)
InChIKeyOWLNLIGODZGYJP-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.35
Rot. Bonds8

About N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide

N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 11259629) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide
PubChem CID11259629
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3F)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C26H24FN5O2/c27-21-9-5-4-8-19(21)14-23(33)30-20-12-10-18(11-13-20)24-22(31-26(29)32-25(24)28)16-34-15-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,30,33)(H4,28,29,31,32)
InChIKeyOWLNLIGODZGYJP-UHFFFAOYSA-N
XLogP4.35
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide (CID 11259629) is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide is Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3F)cc2)c(COCc2ccccc2)n1.
What is the InChIKey of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is OWLNLIGODZGYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-21-9-5-4-8-19(21)14-23(33)30-20-12-10-18(11-13-20)24-22(31-26(29)32-25(24)28)16-34-15-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,30,33)(H4,28,29,31,32).
What are the key properties of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide?
N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 457.51 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 11259629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).