4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide

C16H20N4O2 — CID 83567067

IUPAC4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
SMILESCCOCCCNC(=O)c1cnc(-c2ccccc2)nc1N
InChIInChI=1S/C16H20N4O2/c1-2-22-10-6-9-18-16(21)13-11-19-15(20-14(13)17)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,18,21)(H2,17,19,20)
InChIKeyUTYFSINCYXFWNE-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.88
Rot. Bonds7

About 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide

4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 83567067) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID83567067
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
SMILESCCOCCCNC(=O)c1cnc(-c2ccccc2)nc1N
InChIInChI=1S/C16H20N4O2/c1-2-22-10-6-9-18-16(21)13-11-19-15(20-14(13)17)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,18,21)(H2,17,19,20)
InChIKeyUTYFSINCYXFWNE-UHFFFAOYSA-N
XLogP1.88
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567104
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087
N-(3-ethoxypropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243078
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 42882431
1-amino-N-(2-butoxyethyl)isoquinoline-4-carboxamide
CID 106771455
4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
CID 83567253

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide (CID 83567067) is 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide is CCOCCCNC(=O)c1cnc(-c2ccccc2)nc1N.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is UTYFSINCYXFWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-10-6-9-18-16(21)13-11-19-15(20-14(13)17)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,18,21)(H2,17,19,20).
What are the key properties of 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide?
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).