[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate

C21H25N5O4 — CID 118221939

IUPAC[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate
SMILESCCNc1ncc(C)c(-c2c[nH]c(OC(=O)NC(CO)C(O)c3ccccc3)c2)n1
InChIInChI=1S/C21H25N5O4/c1-3-22-20-24-10-13(2)18(26-20)15-9-17(23-11-15)30-21(29)25-16(12-27)19(28)14-7-5-4-6-8-14/h4-11,16,19,23,27-28H,3,12H2,1-2H3,(H,25,29)(H,22,24,26)
InChIKeyFGQYIDIKSTZSCM-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.39
Rot. Bonds8

About [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate

[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate (PubChem CID 118221939) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Name[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate
PubChem CID118221939
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate
SMILESCCNc1ncc(C)c(-c2c[nH]c(OC(=O)NC(CO)C(O)c3ccccc3)c2)n1
InChIInChI=1S/C21H25N5O4/c1-3-22-20-24-10-13(2)18(26-20)15-9-17(23-11-15)30-21(29)25-16(12-27)19(28)14-7-5-4-6-8-14/h4-11,16,19,23,27-28H,3,12H2,1-2H3,(H,25,29)(H,22,24,26)
InChIKeyFGQYIDIKSTZSCM-UHFFFAOYSA-N
XLogP2.39
TPSA132.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate?
The IUPAC name of [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate (CID 118221939) is [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate?
The canonical SMILES for [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate is CCNc1ncc(C)c(-c2c[nH]c(OC(=O)NC(CO)C(O)c3ccccc3)c2)n1.
What is the InChIKey of [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate?
The InChIKey is FGQYIDIKSTZSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-3-22-20-24-10-13(2)18(26-20)15-9-17(23-11-15)30-21(29)25-16(12-27)19(28)14-7-5-4-6-8-14/h4-11,16,19,23,27-28H,3,12H2,1-2H3,(H,25,29)(H,22,24,26).
What are the key properties of [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate?
[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate has a molecular weight of 411.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 118221939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).