1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea

C18H25N5O3 — CID 160731462

IUPAC1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(Oc2cnc(C)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C18H25N5O3/c1-6-20-18(24)23-13-8-14(12(10(2)3)7-15(13)25-5)26-16-9-21-11(4)22-17(16)19/h7-10H,6H2,1-5H3,(H2,19,21,22)(H2,20,23,24)
InChIKeyFEMTZJDXJPZGEP-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.43
Rot. Bonds6

About 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea

1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea (PubChem CID 160731462) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
PubChem CID160731462
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(Oc2cnc(C)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C18H25N5O3/c1-6-20-18(24)23-13-8-14(12(10(2)3)7-15(13)25-5)26-16-9-21-11(4)22-17(16)19/h7-10H,6H2,1-5H3,(H2,19,21,22)(H2,20,23,24)
InChIKeyFEMTZJDXJPZGEP-UHFFFAOYSA-N
XLogP3.43
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
CID 57329705
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
CID 147984735
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
methyl 4-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]-4-oxobutanoate
CID 68510970
N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-methoxyacetamide
CID 58826050
2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
CID 158850448
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
CID 57329522
5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 149414681
1-[[4-amino-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol
CID 139460650
5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 155471079
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea?
The IUPAC name of 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea (CID 160731462) is 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea.
What is the SMILES notation for 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea?
The canonical SMILES for 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea is CCNC(=O)Nc1cc(Oc2cnc(C)nc2N)c(C(C)C)cc1OC.
What is the InChIKey of 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea?
The InChIKey is FEMTZJDXJPZGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-6-20-18(24)23-13-8-14(12(10(2)3)7-15(13)25-5)26-16-9-21-11(4)22-17(16)19/h7-10H,6H2,1-5H3,(H2,19,21,22)(H2,20,23,24).
What are the key properties of 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea?
1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea has a molecular weight of 359.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea is sourced from PubChem (CID 160731462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).