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

C20H21N5O2 — CID 11846627

IUPACN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1
InChIInChI=1S/C20H21N5O2/c1-13(26)23-16-9-7-15(8-10-16)18-17(24-20(22)25-19(18)21)12-27-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,26)(H4,21,22,24,25)
InChIKeyRHVHGEHIJUENCE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.98
Rot. Bonds6

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

N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide (PubChem CID 11846627) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide
PubChem CID11846627
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1
InChIInChI=1S/C20H21N5O2/c1-13(26)23-16-9-7-15(8-10-16)18-17(24-20(22)25-19(18)21)12-27-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,26)(H4,21,22,24,25)
InChIKeyRHVHGEHIJUENCE-UHFFFAOYSA-N
XLogP2.98
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.98
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]acetamide?
The IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide (CID 11846627) is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1.
What is the InChIKey of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is RHVHGEHIJUENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(26)23-16-9-7-15(8-10-16)18-17(24-20(22)25-19(18)21)12-27-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,26)(H4,21,22,24,25).
What are the key properties of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide?
N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.98, 6 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]acetamide is sourced from PubChem (CID 11846627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).