2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C14H19N5O2 — CID 115288462

IUPAC2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCc1cc(NC(C(=O)O)c2cnn(C)c2)nc(C(C)C)n1
InChIInChI=1S/C14H19N5O2/c1-8(2)13-16-9(3)5-11(18-13)17-12(14(20)21)10-6-15-19(4)7-10/h5-8,12H,1-4H3,(H,20,21)(H,16,17,18)
InChIKeyMFFHGAGJMKRGOH-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.88
Rot. Bonds5

About 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115288462) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115288462
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCc1cc(NC(C(=O)O)c2cnn(C)c2)nc(C(C)C)n1
InChIInChI=1S/C14H19N5O2/c1-8(2)13-16-9(3)5-11(18-13)17-12(14(20)21)10-6-15-19(4)7-10/h5-8,12H,1-4H3,(H,20,21)(H,16,17,18)
InChIKeyMFFHGAGJMKRGOH-UHFFFAOYSA-N
XLogP1.88
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-4-nitro-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 83268749
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-[(4-cyano-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279571
2-[(6-cyano-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279573
2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
CID 115288428
6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 39782311
6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(4-carbamoyl-3-methylanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288415
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288203

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115288462) is 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cc1cc(NC(C(=O)O)c2cnn(C)c2)nc(C(C)C)n1.
What is the InChIKey of 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is MFFHGAGJMKRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8(2)13-16-9(3)5-11(18-13)17-12(14(20)21)10-6-15-19(4)7-10/h5-8,12H,1-4H3,(H,20,21)(H,16,17,18).
What are the key properties of 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115288462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).