5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C16H25N3O2 — CID 64923372

IUPAC5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCC1CCC(Nc2cnc(C(C)C)nc2C(=O)O)C1C
InChIInChI=1S/C16H25N3O2/c1-5-11-6-7-12(10(11)4)18-13-8-17-15(9(2)3)19-14(13)16(20)21/h8-12,18H,5-7H2,1-4H3,(H,20,21)
InChIKeyOBIWZOBSFNKHLQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.53
Rot. Bonds5

About 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 64923372) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID64923372
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCC1CCC(Nc2cnc(C(C)C)nc2C(=O)O)C1C
InChIInChI=1S/C16H25N3O2/c1-5-11-6-7-12(10(11)4)18-13-8-17-15(9(2)3)19-14(13)16(20)21/h8-12,18H,5-7H2,1-4H3,(H,20,21)
InChIKeyOBIWZOBSFNKHLQ-UHFFFAOYSA-N
XLogP3.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 114546945
5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087944
5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086111
3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114288751
5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107413670
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 113478927
5-[[3-oxo-3-(propylamino)propyl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087587
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-(6-hydroxyhexylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107853418
2-propan-2-yl-5-(prop-2-ynylamino)pyrimidine-4-carboxylic acid
CID 62085951
4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959948

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 64923372) is 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CCC1CCC(Nc2cnc(C(C)C)nc2C(=O)O)C1C.
What is the InChIKey of 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is OBIWZOBSFNKHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-11-6-7-12(10(11)4)18-13-8-17-15(9(2)3)19-14(13)16(20)21/h8-12,18H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 64923372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).