1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea

C14H17ClN6O2 — CID 90077105

IUPAC1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea
SMILESCCNc1nc(NC(=O)Nc2ccc(Cl)cc2)nc(N)c1OC
InChIInChI=1S/C14H17ClN6O2/c1-3-17-12-10(23-2)11(16)19-13(20-12)21-14(22)18-9-6-4-8(15)5-7-9/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20,21,22)
InChIKeyGBZRONHEQKOHLR-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea

1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea (PubChem CID 90077105) has the molecular formula C14H17ClN6O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea
PubChem CID90077105
Molecular FormulaC14H17ClN6O2
Molecular Weight336.78 g/mol
Exact Mass336.11
IUPAC Name1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea
SMILESCCNc1nc(NC(=O)Nc2ccc(Cl)cc2)nc(N)c1OC
InChIInChI=1S/C14H17ClN6O2/c1-3-17-12-10(23-2)11(16)19-13(20-12)21-14(22)18-9-6-4-8(15)5-7-9/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20,21,22)
InChIKeyGBZRONHEQKOHLR-UHFFFAOYSA-N
XLogP2.80
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea (CID 90077105) is 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea is CCNc1nc(NC(=O)Nc2ccc(Cl)cc2)nc(N)c1OC.
What is the InChIKey of 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea?
The InChIKey is GBZRONHEQKOHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2/c1-3-17-12-10(23-2)11(16)19-13(20-12)21-14(22)18-9-6-4-8(15)5-7-9/h4-7H,3H2,1-2H3,(H5,16,17,18,19,20,21,22).
What are the key properties of 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea?
1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea has a molecular weight of 336.78 g/mol, XLogP of 2.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6-(ethylamino)-5-methoxypyrimidin-2-yl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 90077105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).