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

C26H25N5O2 — CID 11430583

IUPACN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C26H25N5O2/c27-25-24(22(30-26(28)31-25)17-33-16-19-9-5-2-6-10-19)20-11-13-21(14-12-20)29-23(32)15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,29,32)(H4,27,28,30,31)
InChIKeyCQMPFWNJLTXKTD-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.21
Rot. Bonds8

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

N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide (PubChem CID 11430583) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide
PubChem CID11430583
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C26H25N5O2/c27-25-24(22(30-26(28)31-25)17-33-16-19-9-5-2-6-10-19)20-11-13-21(14-12-20)29-23(32)15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,29,32)(H4,27,28,30,31)
InChIKeyCQMPFWNJLTXKTD-UHFFFAOYSA-N
XLogP4.21
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.21
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-phenylacetamide?
The IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide (CID 11430583) is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide is Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(COCc2ccccc2)n1.
What is the InChIKey of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide?
The InChIKey is CQMPFWNJLTXKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c27-25-24(22(30-26(28)31-25)17-33-16-19-9-5-2-6-10-19)20-11-13-21(14-12-20)29-23(32)15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,29,32)(H4,27,28,30,31).
What are the key properties of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide?
N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylacetamide has a molecular weight of 439.52 g/mol, XLogP of 4.21, 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-phenylacetamide is sourced from PubChem (CID 11430583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).