2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene

C20H23N5O2 — CID 174733860

IUPAC2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene
SMILESCc1cccc(C)c1.NC(=O)C(Nc1nccc(N)n1)c1cccc(O)c1
InChIInChI=1S/C12H13N5O2.C8H10/c13-9-4-5-15-12(16-9)17-10(11(14)19)7-2-1-3-8(18)6-7;1-7-4-3-5-8(2)6-7/h1-6,10,18H,(H2,14,19)(H3,13,15,16,17);3-6H,1-2H3
InChIKeyKRYMKWNLFLHVKA-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.71
Rot. Bonds4

About 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene

2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene (PubChem CID 174733860) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene.

Molecular Properties

Compound Name2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene
PubChem CID174733860
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene
SMILESCc1cccc(C)c1.NC(=O)C(Nc1nccc(N)n1)c1cccc(O)c1
InChIInChI=1S/C12H13N5O2.C8H10/c13-9-4-5-15-12(16-9)17-10(11(14)19)7-2-1-3-8(18)6-7;1-7-4-3-5-8(2)6-7/h1-6,10,18H,(H2,14,19)(H3,13,15,16,17);3-6H,1-2H3
InChIKeyKRYMKWNLFLHVKA-UHFFFAOYSA-N
XLogP2.71
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene?
The IUPAC name of 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene (CID 174733860) is 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene.
What is the SMILES notation for 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene?
The canonical SMILES for 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene is Cc1cccc(C)c1.NC(=O)C(Nc1nccc(N)n1)c1cccc(O)c1.
What is the InChIKey of 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene?
The InChIKey is KRYMKWNLFLHVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2.C8H10/c13-9-4-5-15-12(16-9)17-10(11(14)19)7-2-1-3-8(18)6-7;1-7-4-3-5-8(2)6-7/h1-6,10,18H,(H2,14,19)(H3,13,15,16,17);3-6H,1-2H3.
What are the key properties of 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene?
2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene has a molecular weight of 365.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopyrimidin-2-yl)amino]-2-(3-hydroxyphenyl)acetamide;1,3-xylene is sourced from PubChem (CID 174733860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).