2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid

C10H16N4O2 — CID 115264319

IUPAC2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
SMILESCCN(C)c1cc(NC(C)C(=O)O)ncn1
InChIInChI=1S/C10H16N4O2/c1-4-14(3)9-5-8(11-6-12-9)13-7(2)10(15)16/h5-7H,4H2,1-3H3,(H,15,16)(H,11,12,13)
InChIKeyREIZXHAFOJWOON-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.82
Rot. Bonds5

About 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid

2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid (PubChem CID 115264319) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
PubChem CID115264319
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
SMILESCCN(C)c1cc(NC(C)C(=O)O)ncn1
InChIInChI=1S/C10H16N4O2/c1-4-14(3)9-5-8(11-6-12-9)13-7(2)10(15)16/h5-7H,4H2,1-3H3,(H,15,16)(H,11,12,13)
InChIKeyREIZXHAFOJWOON-UHFFFAOYSA-N
XLogP0.82
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
CID 115265039
(2S)-2-[[6-(2-hydroxypropylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049425
4-N-ethyl-4-N-methyl-6-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-4,6-diamine;formic acid
CID 154915693
2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
CID 126848603
methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264973
2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid
CID 126848139
N-ethyl-2-[(6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 103114097
2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid
CID 135109087
2-methyl-3-[[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264363
6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115263882
4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265860
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid (CID 115264319) is 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid is CCN(C)c1cc(NC(C)C(=O)O)ncn1.
What is the InChIKey of 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid?
The InChIKey is REIZXHAFOJWOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-14(3)9-5-8(11-6-12-9)13-7(2)10(15)16/h5-7H,4H2,1-3H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid?
2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 115264319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).