2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid

C12H20N4O2 — CID 135088959

IUPAC2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid
SMILESCCCC(Nc1nccc(N(C)CC)n1)C(=O)O
InChIInChI=1S/C12H20N4O2/c1-4-6-9(11(17)18)14-12-13-8-7-10(15-12)16(3)5-2/h7-9H,4-6H2,1-3H3,(H,17,18)(H,13,14,15)
InChIKeyGFBATPVCOARNOR-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.60
Rot. Bonds7

About 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid

2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid (PubChem CID 135088959) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid
PubChem CID135088959
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid
SMILESCCCC(Nc1nccc(N(C)CC)n1)C(=O)O
InChIInChI=1S/C12H20N4O2/c1-4-6-9(11(17)18)14-12-13-8-7-10(15-12)16(3)5-2/h7-9H,4-6H2,1-3H3,(H,17,18)(H,13,14,15)
InChIKeyGFBATPVCOARNOR-UHFFFAOYSA-N
XLogP1.60
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
CID 122060540
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
(2S)-2-[(4-tert-butylpyrimidin-2-yl)amino]hexanoic acid
CID 122062726
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine
CID 135116152
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
(2S)-2-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 167798650
(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide
CID 95553743
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
CID 122060521
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
CID 43631313

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid?
The IUPAC name of 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid (CID 135088959) is 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid is CCCC(Nc1nccc(N(C)CC)n1)C(=O)O.
What is the InChIKey of 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid?
The InChIKey is GFBATPVCOARNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-6-9(11(17)18)14-12-13-8-7-10(15-12)16(3)5-2/h7-9H,4-6H2,1-3H3,(H,17,18)(H,13,14,15).
What are the key properties of 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid?
2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid is sourced from PubChem (CID 135088959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).