4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide

C16H20N4O2 — CID 83567312

IUPAC4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCCOc1cccc(-c2ncc(C(=O)NC(C)C)c(N)n2)c1
InChIInChI=1S/C16H20N4O2/c1-4-22-12-7-5-6-11(8-12)15-18-9-13(14(17)20-15)16(21)19-10(2)3/h5-10H,4H2,1-3H3,(H,19,21)(H2,17,18,20)
InChIKeyHGIVMQZJHXHFAO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.26
Rot. Bonds5

About 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide

4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 83567312) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID83567312
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCCOc1cccc(-c2ncc(C(=O)NC(C)C)c(N)n2)c1
InChIInChI=1S/C16H20N4O2/c1-4-22-12-7-5-6-11(8-12)15-18-9-13(14(17)20-15)16(21)19-10(2)3/h5-10H,4H2,1-3H3,(H,19,21)(H2,17,18,20)
InChIKeyHGIVMQZJHXHFAO-UHFFFAOYSA-N
XLogP2.26
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide (CID 83567312) is 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide is CCOc1cccc(-c2ncc(C(=O)NC(C)C)c(N)n2)c1.
What is the InChIKey of 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is HGIVMQZJHXHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-22-12-7-5-6-11(8-12)15-18-9-13(14(17)20-15)16(21)19-10(2)3/h5-10H,4H2,1-3H3,(H,19,21)(H2,17,18,20).
What are the key properties of 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide?
4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).