2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid

C17H26N4O3 — CID 122061382

IUPAC2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
SMILESCOCc1nc(C)cc(NC2CC(N(CC(=O)O)CC3CC3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-11-5-15(20-16(18-11)10-24-2)19-13-6-14(7-13)21(9-17(22)23)8-12-3-4-12/h5,12-14H,3-4,6-10H2,1-2H3,(H,22,23)(H,18,19,20)
InChIKeyNFHZDCVTVHZCRK-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.67
Rot. Bonds9

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

2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122061382) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
PubChem CID122061382
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
SMILESCOCc1nc(C)cc(NC2CC(N(CC(=O)O)CC3CC3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-11-5-15(20-16(18-11)10-24-2)19-13-6-14(7-13)21(9-17(22)23)8-12-3-4-12/h5,12-14H,3-4,6-10H2,1-2H3,(H,22,23)(H,18,19,20)
InChIKeyNFHZDCVTVHZCRK-UHFFFAOYSA-N
XLogP1.67
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[cyclopropylmethyl-[3-[(4,6-dimethoxypyrimidin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061350
2-[cyclopropylmethyl-[3-[(2-cyclopropylpyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122061395
2-[cyclopropylmethyl-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122061530
cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
CID 138020678
2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid
CID 122061367
2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061370
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041512
2-[cyclopropylmethyl-[3-(5-methoxy-2-nitroanilino)cyclobutyl]amino]acetic acid
CID 122061197
2-[cyclopropylmethyl-[3-[(5-nitro-2-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061569
2-[cyclopropylmethyl-[3-[(2-methylquinolin-6-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041663
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071896
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid (CID 122061382) is 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid is COCc1nc(C)cc(NC2CC(N(CC(=O)O)CC3CC3)C2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is NFHZDCVTVHZCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11-5-15(20-16(18-11)10-24-2)19-13-6-14(7-13)21(9-17(22)23)8-12-3-4-12/h5,12-14H,3-4,6-10H2,1-2H3,(H,22,23)(H,18,19,20).
What are the key properties of 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122061382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).