2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid

C14H19N5O2 — CID 122061743

IUPAC2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nc(C)cc(C#N)n2)C1
InChIInChI=1S/C14H19N5O2/c1-3-19(8-13(20)21)12-5-10(6-12)17-14-16-9(2)4-11(7-15)18-14/h4,10,12H,3,5-6,8H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyMMPNBMNTXIDKIW-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.01
Rot. Bonds6

About 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061743) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061743
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nc(C)cc(C#N)n2)C1
InChIInChI=1S/C14H19N5O2/c1-3-19(8-13(20)21)12-5-10(6-12)17-14-16-9(2)4-11(7-15)18-14/h4,10,12H,3,5-6,8H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyMMPNBMNTXIDKIW-UHFFFAOYSA-N
XLogP1.01
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061757
2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545212
2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061674
2-[ethyl-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122061635
2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061823
2-[[3-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061882
2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122061797
2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122093196
2-[cyclopropylmethyl-[3-[(4,6-dimethoxypyrimidin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061350
2-[[3-[(4-cyanothiophen-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122041998
2-[ethyl-[3-(2-methyl-4-nitroanilino)cyclobutyl]amino]acetic acid
CID 122062077
2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061780

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122061743) is 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(Nc2nc(C)cc(C#N)n2)C1.
What is the InChIKey of 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is MMPNBMNTXIDKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-19(8-13(20)21)12-5-10(6-12)17-14-16-9(2)4-11(7-15)18-14/h4,10,12H,3,5-6,8H2,1-2H3,(H,20,21)(H,16,17,18).
What are the key properties of 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).