5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide

C16H21N5O3 — CID 57329522

IUPAC5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
SMILESCNC(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C16H21N5O3/c1-8(2)9-5-11(23-4)10(15(22)19-3)6-12(9)24-13-7-20-16(18)21-14(13)17/h5-8H,1-4H3,(H,19,22)(H4,17,18,20,21)
InChIKeyVYJJKVHKWJBNBN-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.92
Rot. Bonds5

About 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide

5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide (PubChem CID 57329522) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
PubChem CID57329522
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
SMILESCNC(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C16H21N5O3/c1-8(2)9-5-11(23-4)10(15(22)19-3)6-12(9)24-13-7-20-16(18)21-14(13)17/h5-8H,1-4H3,(H,19,22)(H4,17,18,20,21)
InChIKeyVYJJKVHKWJBNBN-UHFFFAOYSA-N
XLogP1.92
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide?
The IUPAC name of 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide (CID 57329522) is 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide.
What is the SMILES notation for 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide?
The canonical SMILES for 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide is CNC(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC.
What is the InChIKey of 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide?
The InChIKey is VYJJKVHKWJBNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-8(2)9-5-11(23-4)10(15(22)19-3)6-12(9)24-13-7-20-16(18)21-14(13)17/h5-8H,1-4H3,(H,19,22)(H4,17,18,20,21).
What are the key properties of 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide?
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide has a molecular weight of 331.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 57329522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).